Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3600579

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(C(=O)N/N=C/c2cc(O)c(O)cc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3600579
Phase Preclinical
Structure Type MOL
InChI Key GIKXZFYSZMMEBB-IGIDEGMOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
3.71
ALogP
6
HBA
5
HBD
131.2
PSA (Ų)
0.14
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 C23H16ClN3O5
MW 449.85
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.82

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