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

CHEMBL1818134

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
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(O)CCN(C)C)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818134
Phase Preclinical
Structure Type MOL
InChI Key ZZUFLNQKOYMXII-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.0
MW (Da)
5.78
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN3O2
MW 435.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21831641 10.1016/j.bmc.2011.07.020 Unchecked 2
21831641 10.1016/j.bmc.2011.07.020 Escherichia coli 2
21831641 10.1016/j.bmc.2011.07.020 Staphylococcus aureus 2

Data from ChEMBL 36 via Core Engine