ETAVOPIVAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V4E0A9M44Q

Structure
InChI Key KZFFYEPYCVDOGE-LJQANCHMSA-N
Smile O=C([C@H](CO)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1cnc3c(c1)OCCO3)C2
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23N3O6S
Molecular Weight 457.51
AlogP 0.77
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 109.27
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Pyruvate kinase isozymes R/L activator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C19 family
- 2000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Thalassemia 1 D013789 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650332
FDA SRS V4E0A9M44Q
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