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Compound Detail

CHEMBL3707347

VERINURAD
🧪 Phase II
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🧪 Phase II
CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707347
Name VERINURAD
Phase Phase II
Structure Type MOL
InChI Key YYBOLPLTQDKXPM-UHFFFAOYSA-N

Known Names

RDEA-3170 RDEA3170 Verinurad
1
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
4
Indications
1
Mechanisms

Molecular Properties

348.4
MW (Da)
4.73
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -inurad
USAN Year 2016

Extended Properties

Molecular Formula C20H16N2O2S
MW 348.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.61

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Solute carrier family 22 member 12 inhibitor INHIBITOR Solute carrier family 22 member 12 ✓ ✓

Indications

Gout Heart Failure Hyperuricemia Renal Insufficiency, Chronic

Activity Summary

IC50 7 meas. best 7.64
EC50 2 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 7.64 7.2986 23.0 7
Solute carrier family 22 member 12
CHEMBL6120
 EC50 7.6 7.59 25.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 23.0 nM 7.64 Inhibition of URAT1 (unknown origin) -
Solute carrier family 22 member 12 IC50 = 23.0 nM 7.64 Inhibition of human URAT1 30769179
Solute carrier family 22 member 12 EC50 = 25.0 nM 7.6 URAT1-Model Assay: HEK293 human embryonic kidney cells (ATCC #CRL-1573) were pro... -
Solute carrier family 22 member 12 IC50 = 25.0 nM 7.6 Inhibition of human URAT1 expressed in HEK293T cells by assessed as [14C]urate u... 31774679
Solute carrier family 22 member 12 IC50 = 25.0 nM 7.6 Inhibition of human URT1 36335742
Solute carrier family 22 member 12 EC50 = 26.0 nM 7.58 URAT1-Model Assay: HEK293 human embryonic kidney cells (ATCC# CRL-1573) were pro... -
Solute carrier family 22 member 12 IC50 = 113.0 nM 6.95 hURAT1 Inhibition Assay: Human embryonic kidney cells (HEK293) was incubated in ... -
Solute carrier family 22 member 12 IC50 = 130.0 nM 6.89 Inhibition of human URAT1 stably overexpressing in human HEK293 cells assessed a... 36001935
Solute carrier family 22 member 12 IC50 = 170.0 nM 6.77 Inhibition of URAT1 (unknown origin) 39142150

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
39142150 10.1016/j.ejmech.2024.116753 Solute carrier family 22 member 12 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5724796 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5724796 Peregrin 1
- 10.6019/CHEMBL5724796 Fibroblast growth factor receptor 2 1
- 10.6019/CHEMBL5724796 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5724796 Aurora kinase A 1
- 10.6019/CHEMBL5724796 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5724796 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL5724796 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5724796 Casein kinase I isoform delta 1
- 10.1039/C6MD00190D Solute carrier family 22 member 12 1
36335742 10.1016/j.ejmech.2022.114890 Solute carrier family 22 member 12 1
36001935 10.1016/j.ejmech.2022.114682 Solute carrier family 22 member 12 1
30769179 10.1016/j.ejmech.2019.01.043 Solute carrier family 22 member 12 1
31774679 10.1021/acs.jmedchem.9b01237 Solute carrier family 22 member 12 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine