Amcasertib

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
Amcasertib
Accession Number
DB14866
Type
Small Molecule
Groups
Investigational
Description

Amcasertib is under investigation in clinical trial NCT02483247 (A Study of BBI503 in Combination With Selected Anti-Cancer Therapeutics in Adult Patients With Advanced Cancer).

Structure
Thumb
Synonyms
Not Available
External IDs
BBI-503 / BBI503
Categories
Not Available
UNII
GLY8ABW25V
CAS number
1129403-56-0
Weight
Average: 539.7
Monoisotopic: 539.235496497
Chemical Formula
C31H33N5O2S
InChI Key
QDWKGEFGLQMDAM-ULJHMMPZSA-N
InChI
InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-
IUPAC Name
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxamide
SMILES
CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(C=C23)C2=CSC(=N2)C2=CC=CC=C2)=C1C

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
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

References

General References
Not Available
External Links
ChemSpider
44208821
ChEMBL
CHEMBL3707349

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAdvanced Solid Tumors / Malignancies1
1RecruitingTreatmentAdvanced Solid Tumors / Hepatocellular,Carcinoma1
1, 2Active Not RecruitingTreatmentCancer, Advanced Solid Tumors1
1, 2Active Not RecruitingTreatmentHepatocellular,Carcinoma1
1, 2Active Not RecruitingTreatmentMalignancies1
2Active Not RecruitingTreatmentCholangiocarcinomas / Hepatocellular,Carcinoma1
2TerminatedTreatmentGastrointestinal Stromal Tumors1
2TerminatedTreatmentMalignancies / Ovarian Cancer1
2WithdrawnTreatmentRenal Cell Adenocarcinoma / Transitional Cell Carcinoma / Urologic Malignancies1

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 Solubility0.000606 mg/mLALOGPS
logP5.23ALOGPS
logP5.5ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)11.09ChemAxon
pKa (Strongest Basic)9.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area90.12 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity171.12 m3·mol-1ChemAxon
Polarizability62.72 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:31 / Updated on February 02, 2020 03:17