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Compound Detail

CHEMBL3600643

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O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3600643
Phase Preclinical
Structure Type MOL
InChI Key IDTBFXAGEIBUSI-CAFJJDGRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
4.30
ALogP
4
HBA
3
HBD
90.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16ClN3O3
MW 417.85
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26077497 10.1016/j.bmcl.2015.05.069 Urease 1

Data from ChEMBL 36 via Core Engine