Selinexor

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Selinexor
Accession Number
DB11942
Type
Small Molecule
Groups
Investigational
Description

Selinexor has been used in trials studying the treatment of AML, Glioma, Sarcoma, Leukemia, and Advanced, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
Kpt 330 / KPT-330
Categories
Not Available
UNII
31TZ62FO8F
CAS number
1393477-72-9
Weight
Average: 443.313
Monoisotopic: 443.09292698
Chemical Formula
C17H11F6N7O
InChI Key
DEVSOMFAQLZNKR-RJRFIUFISA-N
InChI
InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
IUPAC Name
(2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)prop-2-enehydrazide
SMILES
FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
71481097
PubChem Substance
347828269
ChemSpider
32701989
ChEMBL
CHEMBL3545185

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentChronic Myelogenous Leukemia (CML) in Blast Crisis / Refractory Acute Lymphoblastic Leukemia (ALL) / Refractory Acute Myelogenous Leukemia (AML) / Refractory Biphenotypic Leukemia / Refractory Mixed Lineage Leukemia / Relapsed Acute Lymphoblastic Leukemia (ALL) / Relapsed Acute Myelogenous Leukemia (AML) / Relapsed Biphenotypic Leukemia / Relapsed Mixed Lineage Leukemia1
1Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
1Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Leukemias1
1Active Not RecruitingTreatmentDe Novo Myelodysplastic Syndrome / Leukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Secondary Myelodysplastic Syndromes1
1CompletedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Leukemia Acute Myeloid Leukemia (AML) / Mixed Phenotype Acute Leukemia (MPAL) / Myelodysplastic Syndromes (MDS)1
1CompletedTreatmentHaematological Malignancies1
1CompletedTreatmentLeukemia Acute Myeloid Leukemia (AML) / Secondary Acute Myeloid Leukemia (Secondary AML, sAML) / Untreated Adult Acute Myeloid Leukemia1
1CompletedTreatmentNeoplasms, Colorectal1
1CompletedTreatmentSarcomas1
1CompletedTreatmentTumors, Solid1
1RecruitingTreatmentAdult Acute Myeloid Leukemia With 11q23 (MLL) Abnormalities / Adult Acute Myeloid Leukemia With Del(5q) / Adult Acute Myeloid Leukemia With Inv(16)(p13;q22) / Adult Acute Myeloid Leukemia With T(15;17)(q22;q12) / Adult Acute Myeloid Leukemia With T(16;16)(p13;q22) / Adult Acute Myeloid Leukemia With T(8;21)(q22;q22) / Recurrent Adult Acute Myeloid Leukemia / Secondary Acute Myeloid Leukemia (Secondary AML, sAML)1
1RecruitingTreatmentAdvanced Cancers1
1RecruitingTreatmentCancer of the Ovary / Endometrial Cancers1
1RecruitingTreatmentChildhood Central Nervous System Neoplasm / Childhood Lymphoma / Childhood Solid Neoplasm / Malignant Gliomas / Recurrent Brain Neoplasm / Recurrent Childhood Central Nervous System Neoplasm / Recurrent Childhood Glioblastoma / Recurrent Lymphoma / Recurrent Malignant Solid Neoplasm / Refractory Central Nervous System Neoplasm / Refractory Lymphomas / Refractory Malignant Solid Neoplasm / Tumors, Solid / WHO Grade III Glioma1
1RecruitingTreatmentChronic Lymphocytic Leukemia (CLL) - Refractory / Leukemia, Prolymphocytic / Recurrent Adult Diffuse Large Cell Lymphoma / Recurrent Mantle Cell Lymphoma / Recurrent Small Lymphocytic Lymphoma1
1RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
1RecruitingTreatmentLymphoma, B-Cell1
1RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL)1
1RecruitingTreatmentMultiple Myeloma (MM) / Relapsed and/or Refractory Multiple Myeloma1
1RecruitingTreatmentRectal Neoplasms1
1RecruitingTreatmentRecurrent Melanoma1
1RecruitingTreatmentRefractory Multiple Myeloma1
1RecruitingTreatmentSoft Tissue Sarcoma (STS)1
1RecruitingTreatmentTumors, Solid1
1TerminatedTreatmentEsophageal Cancers / Malignant Neoplasm of Stomach1
1, 2Active Not RecruitingTreatmentAcinar Cell Adenocarcinoma of the Pancreas / Duct Cell Adenocarcinoma of the Pancreas / Stage IV Pancreatic Cancer1
1, 2Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
1, 2Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Leukemias1
1, 2Active Not RecruitingTreatmentMultiple Myeloma (MM)1
1, 2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
1, 2RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL) / Recurrent B-Cell Non-Hodgkin Lymphoma / Recurrent Extranodal Marginal Zone Lymphoma / Recurrent Follicular Lymphoma / Recurrent Indolent Adult Non-Hodgkin Lymphoma / Recurrent Mantle Cell Lymphoma / Recurrent Marginal Zone Lymphoma / Recurrent Waldenstrom Macroglobulinemia / Refractory B-Cell Non-Hodgkin Lymphoma / Refractory Extranodal Marginal Zone Lymphoma / Refractory Follicular Lymphoma / Refractory Mantle Cell Lymphoma / Stage III Non-Hodgkin Lymphoma / Stage IV Non-Hodgkin Lymphoma / Transformed Recurrent Non-Hodgkin Lymphoma1
1, 2RecruitingTreatmentMultiple Myeloma (MM)2
1, 2WithdrawnTreatmentDiabetic Foot Ulcers (DFU)1
1, 2WithdrawnTreatmentMultiple Myeloma (MM)1
1, 2WithdrawnTreatmentRecurrent Squamous Cell Lung Carcinoma / Stage IV Squamous Cell Lung Carcinoma1
2Active Not RecruitingTreatmentAcute Myeloid Leukemia (Relapsed/Refractory)1
2Active Not RecruitingTreatmentCancer, Breast1
2Active Not RecruitingTreatmentGlioblastomas / Gliomas1
2Active Not RecruitingTreatmentMultiple Myeloma (MM)1
2Active Not RecruitingTreatmentMyelodysplastic Syndromes1
2CompletedTreatmentCancer, Breast / Cervical Carcinoma / Endometrial Carcinoma / Ovarian Carcinoma1
2CompletedTreatmentLeukemia Acute Myeloid Leukemia (AML)1
2CompletedTreatmentNeuroendocrine Carcinomas1
2Not Yet RecruitingTreatmentPost Essential Thrombocythemia Myelofibrosis / Post Polycythemia Vera Myelofibrosis / Primary Myelofibrosis1
2RecruitingTreatmentAdvanced thymic carcinoma / Advanced Thymic Epithelial Tumor1
2RecruitingTreatmentAdvanced thymic carcinoma / Advanced Thymic Epithelial Tumour1
2RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
2RecruitingTreatmentLymphoma, Large B-Cell, Diffuse (DLBCL)1
2RecruitingTreatmentRefractory Multiple Myeloma1
2RecruitingTreatmentUntreated Adult Acute Myeloid Leukemia1
2TerminatedTreatmentCastration Levels of Testosterone / Hormone-Resistant Prostate Cancer / Metastatic Castration-Resistant Prostate Cancer (mCRPC) / Metastatic Prostate Carcinoma in the Soft Tissue / Prostate Carcinoma Metastatic in the Bone / PSA Progression / Stage IV Prostate Adenocarcinoma AJCC v71
2TerminatedTreatmentCutaneous T-Cell Lymphoma (CTCL) / Peripheral T-Cell Lymphoma (PTCL)1
2TerminatedTreatmentProstate Cancer1
2TerminatedTreatmentRecurrent Small Cell Lung Carcinoma1
2TerminatedTreatmentRichter's Transformation1
2TerminatedTreatmentSquamous Cell Carcinoma (SCC)1
2WithdrawnTreatmentMultiple Myeloma (MM)1
2WithdrawnTreatmentMyelodysplastic Syndrome1
2, 3RecruitingTreatmentLiposarcomas, Dedifferentiated1
3RecruitingTreatmentEndometrial Cancers1
3RecruitingTreatmentMultiple Myeloma (MM)1
Not AvailableRecruitingTreatmentAdvanced / Metastatic / Recurrent / Salivary Gland Cancers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00555 mg/mLALOGPS
logP2.85ALOGPS
logP3.07ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)12.18ChemAxon
pKa (Strongest Basic)1.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area97.62 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity120 m3·mol-1ChemAxon
Polarizability35.61 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Triazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Trifluoromethylbenzenes / Pyrazines / Imidolactams / Vinylogous amides / Heteroaromatic compounds / Acrylic acids and derivatives / Carboxylic acid hydrazides / Azacyclic compounds / Organonitrogen compounds / Organofluorides
show 4 more
Substituents
Phenyl-1,2,4-triazole / Trifluoromethylbenzene / Monocyclic benzene moiety / Pyrazine / Benzenoid / Imidolactam / Acrylic acid or derivatives / Heteroaromatic compound / Vinylogous amide / Carboxylic acid hydrazide
show 14 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:03 / Updated on November 02, 2018 07:17