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
Structure for Amcasertib (DB14866)
- Weight
- Average: 539.7
Monoisotopic: 539.235496497 - Chemical Formula
- C31H33N5O2S
- Synonyms
- Amcasertib
- External IDs
- BBI-503
- BBI503
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- ChemSpider
- 44208821
- ChEMBL
- CHEMBL3707349
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cholangiocarcinoma / Hepatocellular Carcinoma 1 2 Terminated Treatment Cancer / Ovarian Cancer 1 2 Terminated Treatment Gastrointestinal Stromal Tumor (GIST) 1 2 Withdrawn Treatment Renal Cell Carcinoma (RCC) / Urologic Malignancies / Urothelial Carcinoma 1 1 Completed Treatment Advanced Solid Tumor Cancers 1 1 Completed Treatment Advanced Solid Tumors / Cancer 1 1 Completed Treatment Advanced Solid Tumors / Hepatocellular Carcinoma 1 1 Completed Treatment Cancer 1 1, 2 Completed Treatment Hepatocellular Carcinoma 1
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
Property Value Source Water Solubility 0.000606 mg/mL ALOGPS logP 5.23 ALOGPS logP 5.5 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 11.09 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.12 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 171.12 m3·mol-1 Chemaxon Polarizability 62.72 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:31 / Updated at February 21, 2021 18:54