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Compound Detail

CHEMBL5802156

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CCSc1nc(O)c(C(=O)Nc2ccc(-c3c[nH]nn3)cc2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5802156
Phase Preclinical
Structure Type MOL
InChI Key QSMPGZMAVNHSIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
1.62
ALogP
7
HBA
4
HBD
136.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N6O3S
MW 358.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.93

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
 IC50 5.61 5.61 2430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 12 IC50 = 2430.0 nM 5.61 URAT1 activity assay: URAT1 (SLC22A12) activity was evaluated in a cellular upta... -

Data from ChEMBL 36 via Core Engine