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

CHEMBL1092204

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
COc1cccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092204
Phase Preclinical
Structure Type MOL
InChI Key ASTCWSGSTBEOBE-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.10
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.80
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 C17H14N2O2
MW 278.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-N-MC
CHEMBL614163
 IC50 5.29 5.29 5130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-N-MC IC50 = 5130.0 nM 5.29 Cytotoxicity against human SK-N-MC cells after 72 hrs by MTT assay 20303768

Literature References

PubMed DOI Target Context # Activities
38784470 10.1039/d3md00600j BE(2)-C 2
38784470 10.1039/d3md00600j DU-145 2
38784470 10.1039/d3md00600j A-431 2
38784470 10.1039/d3md00600j NCI-H460 2
38784470 10.1039/d3md00600j A2780 2
38784470 10.1039/d3md00600j MCF-10A 2
38784470 10.1039/d3md00600j MCF7 2
38784470 10.1039/d3md00600j U-87 MG 2
38784470 10.1039/d3md00600j MIA PaCa-2 2
38784470 10.1039/d3md00600j HT-29 2
38784470 10.1039/d3md00600j Unchecked 2
30562697 10.1016/j.ejmech.2018.12.012 HCT-116 2
30562697 10.1016/j.ejmech.2018.12.012 Tyrosine-protein kinase Lyn 1
38784470 10.1039/d3md00600j Tubulin 1
30562697 10.1016/j.ejmech.2018.12.012 Tyrosine-protein kinase Fyn 1
30562697 10.1016/j.ejmech.2018.12.012 Tyrosine-protein kinase CSK 1
30562697 10.1016/j.ejmech.2018.12.012 Protein-tyrosine kinase 6 1
30562697 10.1016/j.ejmech.2018.12.012 Tyrosine-protein kinase ABL1 1
20303768 10.1016/j.bmc.2010.02.025 No relevant target 1
20303768 10.1016/j.bmc.2010.02.025 ADMET 1

Data from ChEMBL 36 via Core Engine