etavopivat   Click here for help

GtoPdb Ligand ID: 11975

Synonyms: FT-4202 | FT4202
Compound class: Synthetic organic
Comment: Etavopivat (FT-4202) is an orally active, small molecule allosteric activator of the pyruvate kinase (PK) isoform that's found in erythrocytes (PK-R) [2]. It activates the erythrocytic glycolytic pathway. Etavopivat is similar in function to mitapivat.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 117.65
Molecular weight 457.13
XLogP -0.58
No. Lipinski's rules broken 0
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Canonical SMILES OC[C@@H](C(=O)N1CC2=C(C1)CN(C2)S(=O)(=O)c1cnc2c(c1)OCCO2)c1ccccc1
Isomeric SMILES C1COc2c(O1)cc(cn2)S(=O)(=O)N1CC2=C(C1)CN(C2)C(=O)[C@H](CO)c1ccccc1
InChI InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11646 etavopivat
Synonyms Click here for help
FT-4202 | FT4202
Database Links Click here for help
CAS Registry No. 2245053-57-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL4650332
GtoPdb PubChem SID 464244116
PubChem CID 135338378
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