Amuvatinib hydrochlorideProduct ingredient for Amuvatinib

Name
Amuvatinib hydrochloride
Drug Entry
Amuvatinib

Amuvatinib has been used in trials studying the treatment of Solid Tumors and Small Cell Lung Carcinoma. Amuvatinib is an oral, selective multi-targeted tyrosine kinase inhibitor that suppresses c-MET, c-RET and the mutant forms of c-KIT, PDGFR and FLT3. Amuvatinib also suppresses Rad51 protein, a critical component of double-stranded DNA repair in cancer cells.

Accession Number
DBSALT002365
Structure
Synonyms
Not Available
UNII
14L8O2K12B
CAS Number
1055986-67-8
Weight
Average: 483.97
Monoisotopic: 483.1131885
Chemical Formula
C23H22ClN5O3S
InChI Key
IKQFRXPMBGQJGE-UHFFFAOYSA-N
InChI
InChI=1S/C23H21N5O3S.ClH/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21;/h1-6,11,13H,7-10,12,14H2,(H,24,32);1H
IUPAC Name
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}piperazine-1-carbothioamide hydrochloride
SMILES
Cl.S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1
ChemSpider
17218420
ChEMBL
CHEMBL2105685
Predicted Properties
PropertyValueSource
Water Solubility0.0741 mg/mLALOGPS
logP2.79ALOGPS
logP3.52Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.11Chemaxon
pKa (Strongest Basic)1.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area75.89 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity124.53 m3·mol-1Chemaxon
Polarizability47.82 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon