CHEBI:91385 - PF-00477736

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ChEBI Name PF-00477736
ChEBI ID CHEBI:91385
Definition A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H25N7O2
Net Charge 0
Average Mass 419.480
Monoisotopic Mass 419.20697
InChI InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1
InChIKey YFNWWNRZJGMDBR-LJQANCHMSA-N
SMILES CN1C=C(C=N1)C2=NC3=C4C2=CNNC(=O)C4=CC(=C3)NC(=O)[C@@H](C5CCCCC5)N
Roles Classification
Biological Role(s): EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing PF-00477736 (CHEBI:91385) has role antineoplastic agent (CHEBI:35610)
PF-00477736 (CHEBI:91385) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
PF-00477736 (CHEBI:91385) is a amino acid amide (CHEBI:22475)
PF-00477736 (CHEBI:91385) is a diazepinoindole (CHEBI:134605)
PF-00477736 (CHEBI:91385) is a pyrazoles (CHEBI:26410)
IUPAC Name
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-4H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamide
Synonyms Sources
PF 477736 ChEBI
PF-477736 ChEBI
Manual Xref Database
LSM-1112 LINCS
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Registry Number Type Source
952021-60-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18694366 PubMed citation Europe PMC
19584159 PubMed citation Europe PMC
23820871 PubMed citation Europe PMC
24838526 PubMed citation Europe PMC
25104095 PubMed citation Europe PMC
25428911 PubMed citation Europe PMC
25465126 PubMed citation Europe PMC
26439697 PubMed citation Europe PMC
26542114 PubMed citation Europe PMC
Last Modified
17 February 2017