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

CHEMBL1800814

BOROPINOL C
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
C=C(C)CCOc1c(OC)cc(/C=C/CO)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1800814
Name BOROPINOL C
Phase Preclinical
Structure Type MOL
InChI Key NQIVAJALBHKPEX-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.05
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22O4
MW 278.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
22472691 10.1016/j.bmcl.2012.03.057 Bile acid receptor 7
21696954 10.1016/j.bmcl.2011.05.089 NON-PROTEIN TARGET 4
21696954 10.1016/j.bmcl.2011.05.089 A549 1
21696954 10.1016/j.bmcl.2011.05.089 PC-3 1
21696954 10.1016/j.bmcl.2011.05.089 SK-MEL-28 1
21696954 10.1016/j.bmcl.2011.05.089 LoVo 1

Data from ChEMBL 36 via Core Engine