olutasidenib   Click here for help

GtoPdb Ligand ID: 10319

Synonyms: example 26 [US9834539B2] | FT-2102 | FT2102
PDB Ligand
Compound class: Synthetic organic
Comment: Olutasidenib (FT-2102) is an orally available and brain penetrant inhibitor of mutant IDH1 that is being developed by Forma Therapeutics for antineoplastic potential [1]. Activating mutations in IDH1 (e.g. IDH1R132H) drive cancer initiation and growth by enhancing the formation of the oncometabolite 2-hydroxyglutarate (2HG) [3]. Inhibition of IDH1 blocks this mechanism.
FT-2102 is claimed as example 26 (I-14) in Forma Tm2's patent US9834539B2 [2]. This is the same mechanism of action as ivosidenib (Tibsovo®) that was FDA approved in 2018.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 90.68
Molecular weight 354.09
XLogP 4.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(c(=O)n1C)NC(c1cc2cc(Cl)ccc2[nH]c1=O)C
Isomeric SMILES N#Cc1ccc(c(=O)n1C)N[C@H](c1cc2cc(Cl)ccc2[nH]c1=O)C
InChI InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
InChI Key NEQYWYXGTJDAKR-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
International Nonproprietary Names Click here for help
INN number INN
11036 olutasidenib
Synonyms Click here for help
example 26 [US9834539B2] | FT-2102 | FT2102
Database Links Click here for help
CAS Registry No. 1887014-12-1 (source: WHO INN record)
GtoPdb PubChem SID 381745000
PubChem CID 118955396
RCSB PDB Ligand PWV
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