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

CHEMBL1814509

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
CN(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814509
Phase Preclinical
Structure Type MOL
InChI Key ZTYHXBUDOSNOCB-WEVVVXLNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
4.01
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.69
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 C17H16ClNO2
MW 301.77
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.42

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
21788139 10.1016/j.bmc.2011.06.086 Glycogen phosphorylase, muscle form 2
28739043 10.1016/j.bmcl.2017.07.035 Myocilin 2
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine