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Compound Detail

CHEMBL4293485

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Clc1ccc(-c2nnn[nH]2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293485
Phase Preclinical
Structure Type MOL
InChI Key YNPSRXVKAZLDJU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

186.6
MW (Da)
1.58
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H3ClN4S
MW 186.63
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -2.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30265959 10.1016/j.ejmech.2018.09.040 D-amino-acid oxidase 1
34146913 10.1016/j.ejmech.2021.113561 C-type lectin domain family 4 member M 1

Data from ChEMBL 36 via Core Engine