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Compound Detail

CHEMBL334830

RANIRESTAT
🧪 Phase III
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🧪 Phase III
O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12

Basic Information

ChEMBL ID CHEMBL334830
Name RANIRESTAT
Phase Phase III
Structure Type MOL
InChI Key QCVNMNYRNIMDKV-QGZVFWFLSA-N

Known Names

AS-3201 Ranirestat
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
2
Known Names
2
Indications

Molecular Properties

420.2
MW (Da)
1.31
ALogP
5
HBA
1
HBD
88.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C17H11BrFN3O4
MW 420.19
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.81

Indications

Diabetic Neuropathies Polyneuropathies

Activity Summary

IC50 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldo-keto reductase family 1 member B1
CHEMBL1900
IC50 7.82 7.82 15.0 1
Aldo-keto reductase family 1 member B1
CHEMBL4559
IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
9767647 10.1021/jm9802968 Aldo-keto reductase family 1 member B1 1
9767647 10.1021/jm9802968 Rattus norvegicus 1
17870536 10.1016/j.bmc.2007.08.019 Aldo-keto reductase family 1 member B1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine