IBD Research Resource Center

BioID	bio3391
Name	FUTIBATINIB
ChEMBL ID	CHEMBL3701238
Molecular Formula	C22H22N6O3
Molecular Weight	418.46
Molecular Weight (Monoisotopic)	418.1753
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar18
Target Name	Serine/threonine-protein kinase cot (COT)
Synonyms	FGFR-IN-1\|FUTIBATINIB\|LYTGOBI\|TAS 120\|TAS-120
Smiles	C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1
Inchi	InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
Inchi Key	KEIPNCCJPRMIAX-HNNXBMFYSA-N
Molecular Species	NEUTRAL
Targets	22.0
Bioactivities	56.0
Np Likeness Score	-0.8
Records Key	['FUTIBATINIB', 'BDBM161389', 'FUTIBATINIB', 'Futibatinib', 'COVC-3907758474', '1; TAS-120', 'FUTIBATINIB', 'FUTIBATINIB', 'TAS-120', '5; TAS-120', '25; TAS-120']
Records Name	['FUTIBATINIB', 'US9108973, 2', 'FUTIBATINIB', 'Futibatinib', 'FUTIBATINIB', '(S)-1-(3-(4-Amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one', 'FUTIBATINIB', 'FUTIBATINIB', '(S)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one', 'Futibatinib; (S)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one', '1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one']
Withdrawn Flag	False
Orphan	0