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

CHEMBL117238

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=C(O)/C=C/c1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117238
Phase Preclinical
Structure Type MOL
InChI Key IZHZPDKBXGBNHV-BMRADRMJSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
5.89
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21NO3
MW 395.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.04

Activity Summary

EC50 1 meas. best 6.18
IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.18 6.18 660.0 1
Unchecked
CHEMBL612545
 IC50 6.18 6.18 660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 660.0 nM 6.18 Antiaggregatory activity in platelet rich human plasma 21413808
Unchecked IC50 = 660.0 nM 6.18 Inhibition of ADP-induced human platelet aggregation. 1404230

Literature References

PubMed DOI Target Context # Activities
1404230 10.1021/jm00097a006 Unchecked 1
21413808 10.1021/jm1013693 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine