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Compound Detail

CHEMBL1277546

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Cc1ccc(-n2c(-c3ccc(Cl)cc3)n[nH]c2=S)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277546
Phase Preclinical
Structure Type MOL
InChI Key GVWFFULEODWIHN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
4.87
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
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 -2.03

Activity Summary

IC50 2 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

Data from ChEMBL 36 via Core Engine