ABT-751

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

Identification

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Name
ABT-751
Accession Number
DB12254
Type
Small Molecule
Groups
Investigational
Description

ABT-751 has been investigated for the treatment of Lung Cancer, Non-Small Cell Lung Cancer, and Non-Small-Cell Lung Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
ABT-751 / E 7010 / E-7010
Categories
UNII
WDT5V5OB9F
CAS number
141430-65-1
Weight
Average: 371.41
Monoisotopic: 371.093976737
Chemical Formula
C18H17N3O4S
InChI Key
URCVCIZFVQDVPM-UHFFFAOYSA-N
InChI
InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
IUPAC Name
N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzene-1-sulfonamide
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC1=C(NC2=CC=C(O)C=C2)N=CC=C1

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
3035714
PubChem Substance
347828529
ChemSpider
2299887
BindingDB
50101086
ChEBI
95043
ChEMBL
CHEMBL20684
HET
E70
PDB Entries
3hkc

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBrain and Central Nervous System Tumors / Cancer of the Ovary / Childhood Germ Cell Tumor / Extragonadal Germ Cell Tumor / Liver Cancer / Neuroblastomas / Renal Cancers / Sarcomas / Unspecified Childhood Solid Tumor, Protocol Specific1
1CompletedTreatmentHaematological Malignancies1
1TerminatedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Recurrent Pediatric ALL / Refractory Pediatric ALL / Relapsed Pediatric ALL1
1, 2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1
1, 2TerminatedTreatmentAdvanced Lung Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1
1, 2TerminatedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers1
1, 2TerminatedTreatmentProstate Cancer1
2Active Not RecruitingTreatmentDisseminated Neuroblastoma / Recurrent Neuroblastoma1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentRenal Cell Adenocarcinoma1

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 Solubility0.0323 mg/mLALOGPS
logP3.4ALOGPS
logP2.82ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)7.21ChemAxon
pKa (Strongest Basic)3.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area100.55 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity97.98 m3·mol-1ChemAxon
Polarizability38.29 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / p-Aminophenols / Phenoxy compounds / Methoxybenzenes / Anisoles / Aniline and substituted anilines / 1-hydroxy-2-unsubstituted benzenoids / Alkyl aryl ethers / Aminopyridines and derivatives / Organosulfonamides
show 8 more
Substituents
Benzenesulfonamide / Benzenesulfonyl group / Phenoxy compound / P-aminophenol / Aminophenol / Anisole / Phenol ether / Methoxybenzene / Aniline or substituted anilines / Alkyl aryl ether
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:44 / Updated on June 04, 2019 07:34