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

CHEMBL179041

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
CCC(CC)n1cc2c3c(nc(C)nc31)N(c1ccc(C#N)cc1Cl)CC2

Basic Information

ChEMBL ID CHEMBL179041
Phase Preclinical
Structure Type MOL
InChI Key FCKNYMJOHKWEJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.9
MW (Da)
5.32
ALogP
5
HBA
0
HBD
57.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN5
MW 379.90
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.21 7.21 61.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 61.66 nM 7.21 Displacement of [125I]o-CRF from recombinant human CRF receptors expressed in Ch... 15946843

Literature References

PubMed DOI Target Context # Activities
15946843 10.1016/j.bmcl.2005.05.040 Unchecked 1

Data from ChEMBL 36 via Core Engine