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Compound Detail

CHEMBL1277640

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Cc1cccc(C)c1Nc1nnc(-c2ccc(Cl)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277640
Phase Preclinical
Structure Type MOL
InChI Key NVSHUMUGNUAIFE-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
5.22
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14ClN3S
MW 315.83
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.95

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
20828889 10.1016/j.ejmech.2010.08.034 Urease 2
20828889 10.1016/j.ejmech.2010.08.034 Radical scavenging activity 1
20828889 10.1016/j.ejmech.2010.08.034 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine