AZD-5363

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

Identification

Name
AZD-5363
Accession Number
DB12218
Type
Small Molecule
Groups
Investigational
Description

AZD5363 has been investigated for the treatment of Metastatic Breast Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD5363
Categories
UNII
WFR23M21IE
CAS number
1143532-39-1
Weight
Average: 428.915
Monoisotopic: 428.172751781
Chemical Formula
C21H25ClN6O2
InChI Key
JDUBGYFRJFOXQC-KRWDZBQOSA-N
InChI
InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1
IUPAC Name
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboximidic acid
SMILES
[H][[email protected]@](CCO)(N=C(O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1

Pharmacology

Indication
Not Available
Structured Indications
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
25227436
PubChem Substance
347828497
ChemSpider
28189073
BindingDB
50427349
ChEMBL
CHEMBL2325741
HET
0XZ
PDB Entries
4gv1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Malignancies / Advanced Solid Tumors1
1CompletedTreatmentAdvanced Solid Malignancies / Pharmacokinetics, Pharmacodynamics / Safety and Tolerability / Tumour Response1
1RecruitingTreatmentAdvanced or Metastatic Breast Cancer / Advanced Solid Malignancies / AKT1 / Cancer, Ovarian / Cervical Cancers / Endometrial Cancers / ER Positive / ER+ / HER2 Positive / HER2+ / Pharmacodynamics / Pharmacokinetics / PIK3CA / PTEN / Safety and Tolerability / Tumour Response1
1RecruitingTreatmentAdvanced Solid Tumors / Cancer, Breast / Prostate Cancer1
1Unknown StatusTreatmentCancer, Advanced1
1, 2Active Not RecruitingTreatmentCancer, Breast / Malignant Female Reproductive System Neoplasm1
1, 2RecruitingTreatmentEstrogen Receptor Positive Breast Cancer1
1, 2RecruitingTreatmentProstate Cancer1
2Active Not RecruitingTreatmentMetastatic Breast Cancer (MBC)1
2CompletedHealth Services ResearchBreast Cancer Invasive Nos1
2RecruitingOtherAdvanced Breast Cancer1
2RecruitingTreatmentAdenocarcinoma of the Prostate1
2RecruitingTreatmentAdenocarcinomas / Lung Cancer Non-Small Cell Cancer (NSCLC) / Squamous Cell Carcinoma (SCC)1
2RecruitingTreatmentAdvanced Gastric Adenocarcinoma1
2RecruitingTreatmentAdvanced Gastric Cancer1
2RecruitingTreatmentAdvanced Malignant Neoplasm / Advanced Malignant Solid Neoplasm / Bladder Carcinoma / Carcinoma, Breast / Carcinoma, Colorectal / Carcinoma, Pancreatic / Cervical Carcinoma / Colon Carcinoma / Endometrial Carcinoma / Gastric Carcinoma / Gliomas / Head and Neck Carcinoma / Liver and Intrahepatic Bile Duct Carcinoma / Lung, Carcinoma / Malignant Lymphomas / Malignant Uterine Neoplasm / Melanoma / Oesophageal Carcinoma / Ovarian Carcinoma / Plasma Cell Myeloma / Prostate Cancer / Rectal Carcinoma / Recurrent Bladder Carcinoma / Recurrent Breast Carcinoma / Recurrent Cervical Carcinoma / Recurrent Colon Carcinoma / Recurrent Colorectal Carcinoma / Recurrent Esophageal Carcinoma / Recurrent Gastric Carcinoma / Recurrent Gliomas / Recurrent Head and Neck Carcinoma / Recurrent Liver Carcinoma / Recurrent Lung Carcinoma / Recurrent Lymphoma / Recurrent Malignant Solid Neoplasm / Recurrent Melanoma / Recurrent Ovarian Carcinoma / Recurrent Pancreatic Carcinoma / Recurrent Plasma Cell Myeloma / Recurrent Prostate Carcinoma / Recurrent Rectal Carcinoma / Recurrent Skin Carcinoma / Recurrent Solid Neoplasm / Recurrent Thyroid Gland Carcinoma / Recurrent Uterine Corpus Carcinoma / Refractory Lymphomas / Refractory Malignant Neoplasm / Refractory Malignant Solid Neoplasm / Refractory Plasma Cell Myeloma / Renal Carcinoma / Skin Carcinoma / Solid Neoplasms / Thyroid Gland Carcinoma / Uterine Corpus Cancer1
2RecruitingTreatmentCancers1
2RecruitingTreatmentMetastatic Breast Cancer (MBC)1
2RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1

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 Solubility0.0819 mg/mLALOGPS
logP1.79ALOGPS
logP-0.18ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)4.66ChemAxon
pKa (Strongest Basic)9.47ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area123.65 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity117.5 m3·mol-1ChemAxon
Polarizability44.54 Å3ChemAxon
Number of Rings4ChemAxon
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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid amides
Alternative Parents
Pyrrolo[2,3-d]pyrimidines / Piperidinecarboxamides / Dialkylarylamines / Aminopiperidines / Aminopyrimidines and derivatives / Chlorobenzenes / Aryl chlorides / Imidolactams / Pyrroles / Heteroaromatic compounds
show 9 more
Substituents
Alpha-amino acid amide / Pyrrolo[2,3-d]pyrimidine / Piperidinecarboxamide / Pyrrolopyrimidine / Dialkylarylamine / 4-aminopiperidine / Aminopyrimidine / Halobenzene / Chlorobenzene / Aryl chloride
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:38 / Updated on November 09, 2017 05:04