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
SMILES / InChI / InChIKey
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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)
InChI Key WLAVZAAODLTUSW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-N'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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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