SU5402   Click here for help

GtoPdb Ligand ID: 11743

Synonyms: compound 1 [PMID: 10602697] | SU-5402
PDB Ligand
Compound class: Synthetic organic
Comment: SU5402 is an inhibitor of the enzymatic activity of receptor tyrosine kinases, including kinase insert domain receptor (VEGFR-2), fibroblast growth factor receptor 1 (FGFR1) and platelet derived growth factor receptor beta (PDGFRβ) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 82.19
Molecular weight 296.12
XLogP 1.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCc1c([nH]cc1C)/C=C/1\C(=O)Nc2c1cccc2
Isomeric SMILES Cc1c[nH]c(c1CCC(=O)O)/C=C\1/c2ccccc2NC1=O
InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChI Key JNDVEAXZWJIOKB-JYRVWZFOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Synonyms Click here for help
compound 1 [PMID: 10602697] | SU-5402
Database Links Click here for help
BindingDB Ligand 4882
ChEMBL Ligand CHEMBL89363
DrugBank Ligand DB08577
GtoPdb PubChem SID 458923778
PubChem CID 5289418
RCSB PDB Ligand SU1
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