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Compound Detail

CHEMBL1275865

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Cc1cccc(Nc2nnc(-c3ccccc3)s2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1275865
Phase Preclinical
Structure Type MOL
InChI Key IODHNCYHJCBNPJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
4.57
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3S
MW 281.38
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.96

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20828889 10.1016/j.ejmech.2010.08.034 Urease 2

Data from ChEMBL 36 via Core Engine