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

CHEMBL139545

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=Cc1cc2c(cc1-c1cc3ccc(OC)c(OC)c3c(=O)n1C)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139545
Phase Preclinical
Structure Type MOL
InChI Key OAFRBBKOQSCMAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.59
ALogP
6
HBA
0
HBD
58.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO5
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-MEL-2
CHEMBL614917
 IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-MEL-2 IC50 = 0.2 nM 9.7 Tested for inhibitory activity against SK-MEL-2 (human melanoma) tumor cell line 9871625

Literature References

PubMed DOI Target Context # Activities
9871625 10.1016/s0960-894x(97)10190-1 SK-MEL-2 1
21095131 10.1016/j.bmc.2010.10.057 SK-MEL-2 1

Data from ChEMBL 36 via Core Engine