CHEBI:90197 - PHA-665752

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ChEBI Name PHA-665752
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
Download Molfile XML SDF
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
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 (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)
Synonyms Sources
PHA 665752 ChEBI
PHA665752 ChEBI
Manual Xref Database
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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
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20736805 PubMed citation Europe PMC
21400509 PubMed citation Europe PMC
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Last Modified
07 March 2018