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

CHEMBL4847936

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
COc1ccccc1C(=O)Nc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4847936
Phase Preclinical
Structure Type MOL
InChI Key PXPJSKWSQAVSFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.65
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO4
MW 271.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
33360559 10.1016/j.ejmech.2020.113106 Bile acid receptor 1

Data from ChEMBL 36 via Core Engine