IBD Research Resource Center

BioID	bio3390
Name	AFURESERTIB
ChEMBL ID	CHEMBL2219422
Molecular Formula	C18H17Cl2FN4OS
Molecular Weight	427.33
Molecular Weight (Monoisotopic)	426.0484
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar18
Target Name	Serine/threonine-protein kinase cot (COT)
Synonyms	AFURESERTIB\|ASB-183\|ASB183\|Afuresertib\|GSK-2110183\|GSK-2110183C\|GSK2110183\|GSK2110183C
Smiles	Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl
Inchi	InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
Inchi Key	AFJRDFWMXUECEW-LBPRGKRZSA-N
Molecular Species	BASE
Targets	274.0
Bioactivities	381.0
Np Likeness Score	-1.47
Records Key	['AFURESERTIB', '5660', 'GSK-2110183', 'GSK2110183', 'AFURESERTIB', 'Compound B', 'Example 96', 'Afuresertib', 'AFURESERTIB', 'AFURESERTIB', 'AFURESERTIB', 'Afuresertib', 'Afuresertib', '13; GSK2110183']
Records Name	['AFURESERTIB', None, 'GSK-2110183', 'Afuresertib', 'AFURESERTIB', 'N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide', 'N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide', 'Afuresertib', 'AFURESERTIB', 'AFURESERTIB', 'AFURESERTIB', 'Afuresertib', 'Afuresertib', 'Afuresertib']
Withdrawn Flag	False
Orphan	0