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

CHEMBL186241

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
CCCN(CCC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C#N)cc1Cl

Basic Information

ChEMBL ID CHEMBL186241
Phase Preclinical
Structure Type MOL
InChI Key UAXGEDSQRRKJGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
4.63
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN5O
MW 397.91
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15509177 10.1021/jm049737f Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine