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

CHEMBL133389

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=C1C=CC(=O)c2c(O)c(Oc3ccccc3)c(Cl)c(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133389
Phase Preclinical
Structure Type MOL
InChI Key JZJMZLIMZAZYML-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.7
MW (Da)
3.48
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9ClO5
MW 316.70
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.71

Activity Summary

IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI
CHEMBL614877
 IC50 7.0 7.0 100.0 1
HL-60
CHEMBL383
 IC50 6.66 6.66 220.0 1
SCLC
CHEMBL612541
 IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI IC50 = 100.0 nM 7.0 Complete inhibition of cell growth of 60-human tumor cell line detected by Natio... 9986711
HL-60 IC50 = 220.0 nM 6.66 Cytotoxicity in HL-60 (human leukemia) cell line. 9986711
SCLC IC50 = 250.0 nM 6.6 Cytotoxicity in SCLC (human lung carcinoma) cell line. 9986711

Literature References

PubMed DOI Target Context # Activities
9986711 10.1021/jm9804679 HL-60 1
9986711 10.1021/jm9804679 SCLC 1
9986711 10.1021/jm9804679 DNA topoisomerase II 1
9986711 10.1021/jm9804679 NCI 1

Data from ChEMBL 36 via Core Engine