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Compound Detail

CHEMBL6028932

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CSc1nc(O)c(C(=O)Nc2ccc3nc(-c4c[nH]nn4)ccc3c2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6028932
Phase Preclinical
Structure Type MOL
InChI Key OFBXBTILCTZGAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
1.78
ALogP
8
HBA
4
HBD
149.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N7O3S
MW 395.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xanthine dehydrogenase/oxidase
CHEMBL1929
 IC50 9.72 9.72 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Xanthine dehydrogenase/oxidase IC50 = 0.19 nM 9.72 xanthine oxidase activity assay: Xanthine oxidase inhibition was determined usin... -

Data from ChEMBL 36 via Core Engine