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

CHEMBL350519

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=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350519
Phase Preclinical
Structure Type MOL
InChI Key HJFSVFWGNKOKKM-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.23
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.41
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 C23H16N2O2
MW 352.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.83

Activity Summary

IC50 4 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
OVCAR-3
CHEMBL614213
 IC50 5.41 5.41 3866.0 1
L1210
CHEMBL386
 IC50 5.19 5.0 6443.0 2
Unchecked
CHEMBL612545
 IC50 5.19 5.19 6443.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
OVCAR-3 IC50 = 3866.0 nM 5.41 Tested against OVCAR-3 human ovarian cancer cells by sulforhodamine B (SRB) assa... 8459403
Unchecked IC50 = 6443.0 nM 5.19 Tested against UACC375 human melanoma cancer cells by sulforhodamine B (SRB) ass... 8459403
L1210 IC50 = 6443.0 nM 5.19 Tested against L1210 sensitive murine leukemia cells by MTT tetrazolium dye assa... 8459403
L1210 IC50 = 15464.0 nM 4.81 Tested against L1210 resistant murine leukemia cells by MTT tetrazolium dye assa... 8459403

Literature References

PubMed DOI Target Context # Activities
8459403 10.1021/jm00058a014 Unchecked 2
8459403 10.1021/jm00058a014 L1210 2
8459403 10.1021/jm00058a014 ADMET 2
8459403 10.1021/jm00058a014 OVCAR-3 1
8459403 10.1021/jm00058a014 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine