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

CHEMBL2203423

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
COc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)cc1OCCCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2203423
Phase Preclinical
Structure Type MOL
InChI Key PVSDCIYAHQSCOG-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
5.74
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O3
MW 384.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19.0 nM 7.72 Inhibition of complement system in human fetal serum assessed as inhibition of h... 24900471

Literature References

PubMed DOI Target Context # Activities
24900471 10.1021/ml300005w Unchecked 1

Data from ChEMBL 36 via Core Engine