sitravatinib   Click here for help

GtoPdb Ligand ID: 9920

Synonyms: GCD-516 | GCD516 | MGCD516
Compound class: Synthetic organic
Comment: Sitravatinib (MGCD516) is an inhibitor of multiple receptor tyrosine kinases (RTKs) that was developed as an antineoplatic agent [1]. It targets several RTKs (e.g. c-Met, PDGFR, c-Kit and IGF1-R) whose overexpression has been shown to drive sarcoma cell growth
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 142.71
Molecular weight 629.19
XLogP 4.41
No. Lipinski's rules broken 1
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Canonical SMILES COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Isomeric SMILES COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10216 sitravatinib
Synonyms Click here for help
GCD-516 | GCD516 | MGCD516
Database Links Click here for help
CAS Registry No. 1123837-84-2 (source: WHO INN record)
GtoPdb PubChem SID 363894214
PubChem CID 25212148
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