EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88339 - BMS-754807

ChEBI IDCHEBI:88339
ChEBI NameBMS-754807
Stars
DefinitionA pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H24FN9O
Net Charge0
Average Mass461.505
Monoisotopic Mass461.20878
SMILESC[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)nn2)c2cccn2n1
InChIInChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
InChIKeyLQVXSNNAFNGRAH-QHCPKHFHSA-N
Roles Classification
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BMS-754807 (CHEBI:88339) has role antineoplastic agent (CHEBI:35610)
BMS-754807 (CHEBI:88339) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
BMS-754807 (CHEBI:88339) is a pyrazoles (CHEBI:26410)
BMS-754807 (CHEBI:88339) is a pyridines (CHEBI:26421)
BMS-754807 (CHEBI:88339) is a pyrrolidines (CHEBI:38260)
BMS-754807 (CHEBI:88339) is a pyrrolotriazine (CHEBI:88341)
IUPAC Name 
1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide
Synonym  Source
BMS 754807ChemIDplus
Manual XrefsDatabases
EBIPDBeChem
LSM-6218LINCS
Citations