NAV

Amcasertib

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

Identification

Generic Name
Amcasertib
DrugBank Accession Number
DB14866
Background

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).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 539.7
Monoisotopic: 539.235496497
Chemical Formula
C31H33N5O2S
Synonyms
  • Amcasertib
External IDs
  • BBI-503
  • BBI503
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GLY8ABW25V
CAS number
1129403-56-0
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

References

General References
Not Available
ChemSpider
44208821
ChEMBL
CHEMBL3707349

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCholangiocarcinoma / Hepatocellular Carcinoma1
2TerminatedTreatmentCancer / Ovarian Cancer1
2TerminatedTreatmentGastrointestinal Stromal Tumor (GIST)1
2WithdrawnTreatmentRenal Cell Carcinoma (RCC) / Urologic Malignancies / Urothelial Carcinoma1
1CompletedTreatmentAdvanced Solid Tumor 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 Solubility0.000606 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0000290000-a5c71d51e38b6ad52611
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0100090000-54ec3e7b1cfbe45b44e4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0100-0001900000-0aa21432282ebbdad07b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0h2n-4316950000-c77dc8a7e18896a523f0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1009700000-92b14de08cb5ce3244e4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-029x-4009840000-6936b7356ba73cded1f3
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:31 / Updated at February 21, 2021 18:54