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

CHEMBL560036

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
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O

Basic Information

ChEMBL ID CHEMBL560036
Phase Preclinical
Structure Type MOL
InChI Key DLFAZPBXJQLULP-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.9
MW (Da)
3.86
ALogP
6
HBA
1
HBD
65.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClN3O3
MW 377.87
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 9.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 9.54 9.54 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19552437 10.1021/jm900301y Corticotropin-releasing factor receptor 1 1
19552437 10.1021/jm900301y Unchecked 1

Data from ChEMBL 36 via Core Engine