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

CHEMBL376598

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
COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376598
Phase Preclinical
Structure Type MOL
InChI Key WOIWMJZWHCQKEE-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

272.7
MW (Da)
4.24
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
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 C16H13ClO2
MW 272.73
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
18280009 10.1016/j.ejmech.2007.12.027 Ogataea angusta 17
18280009 10.1016/j.ejmech.2007.12.027 Saccharomyces cerevisiae 13
17007965 10.1016/j.ejmech.2006.08.012 Candida albicans 3
18280009 10.1016/j.ejmech.2007.12.027 Kluyveromyces lactis 3
22608392 10.1016/j.bmcl.2012.04.108 3T3-L1 1
30106292 10.1021/acs.jmedchem.8b00657 Stromal cell-derived factor 1 1
30106292 10.1021/acs.jmedchem.8b00657 No relevant target 1

Data from ChEMBL 36 via Core Engine