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CHEBI:90197 - PHA-665752

ChEBI IDCHEBI:90197
ChEBI NamePHA-665752
Stars
DefinitionA member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer).
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H34Cl2N4O4S
Net Charge0
Average Mass641.621
Monoisotopic Mass640.16778
SMILES[H][C@]1(CN2CCCC2)CCCN1C(=O)c1c(C)nc(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c1C
InChIInChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1
InChIKeyOYONTEXKYJZFHA-SSHUPFPWSA-N
Roles Classification
Biological Role:
c-Met tyrosine kinase inhibitor  An EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor that interferes with the action of c-Met tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PHA-665752 (CHEBI:90197) has role antineoplastic agent (CHEBI:35610)
PHA-665752 (CHEBI:90197) has role c-Met tyrosine kinase inhibitor (CHEBI:90199)
PHA-665752 (CHEBI:90197) is a N-acylpyrrolidine (CHEBI:46766)
PHA-665752 (CHEBI:90197) is a dichlorobenzene (CHEBI:23697)
PHA-665752 (CHEBI:90197) is a enamide (CHEBI:51751)
PHA-665752 (CHEBI:90197) is a indolones (CHEBI:24829)
PHA-665752 (CHEBI:90197) is a pyrrolecarboxamide (CHEBI:48611)
PHA-665752 (CHEBI:90197) is a secondary carboxamide (CHEBI:140325)
PHA-665752 (CHEBI:90197) is a sulfone (CHEBI:35850)
PHA-665752 (CHEBI:90197) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Synonyms  Source
PHA 665752ChEBI
PHA665752ChEBI
Manual XrefsDatabases
PFYPDBeChem
Registry NumbersSources
Reaxys:14491744Reaxys
CAS:477575-56-7ChemIDplus
Citations