Capivasertib

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

Identification

Name
Capivasertib
Accession Number
DB12218
Description

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

Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 428.915
Monoisotopic: 428.172751781
Chemical Formula
C21H25ClN6O2
Synonyms
  • Capivasertib
  • Capivasertibum
External IDs
  • AZD 5363
  • AZD-5363
  • AZD5363

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Adverse Effects
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
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Substituents
4-aminopiperidine / Alcohol / Alpha-amino acid amide / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
WFR23M21IE
CAS number
1143532-39-1
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-carboxamide
SMILES
NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[[email protected]@H](CCO)C1=CC=C(Cl)C=C1

References

General References
Not Available
PubChem Compound
25227436
PubChem Substance
347828497
ChemSpider
28189073
BindingDB
50427349
ChEMBL
CHEMBL2325741
ZINC
ZINC000043204023
PDBe Ligand
0XZ
PDB Entries
4gv1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentHormone-Sensitive Prostate Cancer1
3RecruitingTreatmentLocally Advanced (Inoperable) or Metastatic Breast Cancer1
3RecruitingTreatmentTriple Negative Breast Neoplasms1
2Active Not RecruitingTreatmentAdvanced Lymphoma / Advanced Malignant Solid Neoplasm / Hematopoietic and Lymphoid Cell Neoplasm / Refractory Lymphomas / Refractory Malignant Solid Neoplasm / Refractory Plasma Cell Myeloma1
2Active Not RecruitingTreatmentMalignancies1
2Active Not RecruitingTreatmentMetastatic Breast Cancer2
2Active Not RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
2CompletedHealth Services ResearchInvasive Breast Cancer1
2CompletedTreatmentAdvanced Gastric Cancer1
2RecruitingOtherAdvanced Breast 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
logP1.31ChemAxon
pKa (Strongest Acidic)13.03ChemAxon
pKa (Strongest Basic)8.33ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area120.16 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity116.97 m3·mol-1ChemAxon
Polarizability44.79 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

Drug created on October 20, 2016 15:38 / Updated on June 12, 2020 10:53

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