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

CHEMBL2204195

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@@H](C)c2ccccc2)cc1OCCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204195
Phase Preclinical
Structure Type MOL
InChI Key GDSHMFNKQUXXAX-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
5.00
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.70
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O3
MW 356.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 630.0 nM 6.2 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