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

CHEMBL238378

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
Cl.NCc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238378
Phase Preclinical
Structure Type MOL
InChI Key MLXTZEFQOFGRKY-ZIKNSQGESA-N
Parent Compound CHEMBL1182423
Active Moiety CHEMBL1182423
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
5.08
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClNO3
MW 439.98
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.43

Activity Summary

IC50 3 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NB-4
CHEMBL614188
 IC50 6.75 6.75 180.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.41 6.41 390.0 1
IGROV-1
CHEMBL613984
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NB-4 IC50 = 180.0 nM 6.75 Antiproliferative activity against human NB4 cells after 72 hrs 17512204
NON-PROTEIN TARGET IC50 = 390.0 nM 6.41 Antiproliferative activity against human cisplatin-resistant IGROV1/Pt1 cells wi... 17512204
IGROV-1 IC50 = 450.0 nM 6.35 Antiproliferative activity against human IGROV1 cells after 72 hrs 17512204

Literature References

PubMed DOI Target Context # Activities
17512204 10.1016/j.bmc.2007.04.057 IGROV-1 6
17512204 10.1016/j.bmc.2007.04.057 NON-PROTEIN TARGET 1
17512204 10.1016/j.bmc.2007.04.057 NB-4 1

Data from ChEMBL 36 via Core Engine