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

CHEMBL2262116

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
O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2262116
Phase Preclinical
Structure Type MOL
InChI Key BKAQLPYRQWWKRT-GORDUTHDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.6
MW (Da)
5.25
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H9Cl3O2
MW 327.59
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

IC50 2 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 4.18 4.18 65600.0 1
SK-N-MC
CHEMBL614163
 IC50 4.16 4.16 69800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 65600.0 nM 4.18 Cytotoxicity against Homo sapiens (human) K562 cells after 72 hr by MTT assay -
SK-N-MC IC50 = 69800.0 nM 4.16 Cytotoxicity against Homo sapiens (human) SK-N-MC cells after 72 hr by MTT assay -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9344-z SK-N-MC 1
- 10.1007/s00044-010-9344-z K562 1
- 10.1007/s00044-010-9344-z Tubulin alpha 4a 1

Data from ChEMBL 36 via Core Engine