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

CHEMBL1828995

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=CCc1ccc(O)c(-c2ccc(O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1828995
Phase Preclinical
Structure Type MOL
InChI Key PHARZSAWYNACPU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
3.49
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14O2
MW 226.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.90

Activity Summary

IC50 3 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HUVEC
CHEMBL613979
 IC50 4.19 4.19 64300.0 1
A549
CHEMBL392
 IC50 4.12 4.12 76200.0 1
HepG2
CHEMBL395
 IC50 4.05 4.05 89000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HUVEC IC50 = 64300.0 nM 4.19 Antiproliferative activity against human HUVEC cells after 24 hrs by MTT assay 21853991
A549 IC50 = 76200.0 nM 4.12 Antiproliferative activity against human A549 cells after 24 hrs by MTT assay 21853991
HepG2 IC50 = 89000.0 nM 4.05 Antiproliferative activity against human HepG2 cells after 24 hrs by MTT assay 21853991

Literature References

PubMed DOI Target Context # Activities
21853991 10.1021/jm200830u Danio rerio 4
21853991 10.1021/jm200830u HUVEC 1
21853991 10.1021/jm200830u A549 1
21853991 10.1021/jm200830u HepG2 1
21853991 10.1021/jm200830u NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine