CHEBI:90197 - PHA-665752

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ChEBI Name PHA-665752
ChEBI ID CHEBI:90197
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H34Cl2N4O4S
Net Charge 0
Average Mass 641.610
Monoisotopic Mass 640.168
InChI InChI=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
InChIKey OYONTEXKYJZFHA-SSHUPFPWSA-N
SMILES ClC1=C(CS(C2=CC=3\C(=C\C=4NC(=C(C(=O)N5[C@@](CN6CCCC6)(CCC5)[H])C4C)C)\C(=O)NC3C=C2)(=O)=O)C(Cl)=CC=C1
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
PHA 665752 ChEBI
PHA665752 ChEBI
Manual Xref Database
PFY PDBeChem
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Registry Numbers Types Sources
14491744 Reaxys Registry Number Reaxys
477575-56-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15788682 PubMed citation Europe PMC
16461907 PubMed citation Europe PMC
17440059 PubMed citation Europe PMC
18327775 PubMed citation Europe PMC
18413809 PubMed citation Europe PMC
19939254 PubMed citation Europe PMC
20736805 PubMed citation Europe PMC
21400509 PubMed citation Europe PMC
23649759 PubMed citation Europe PMC
24802404 PubMed citation Europe PMC
26277884 PubMed citation Europe PMC
Last Modified
07 March 2018