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

CHEMBL336777

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
COc1ccc2c3c(oc2c1)C(=O)c1c(OC)ccc(OC)c1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336777
Phase Preclinical
Structure Type MOL
InChI Key FNOAOZLBSXUZRM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.23
ALogP
6
HBA
0
HBD
75.0
PSA (Ų)
0.57
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 C19H14O6
MW 338.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.68

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SCLC
CHEMBL612541
 IC50 6.0 6.0 1000.0 1
HL-60
CHEMBL383
 IC50 4.84 4.84 14500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SCLC IC50 = 1000.0 nM 6.0 Cytotoxicity in SCLC (human lung carcinoma) cell line. 9986711
HL-60 IC50 = 14500.0 nM 4.84 Cytotoxicity in HL-60 (human leukemia) 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