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

CHEMBL184850

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)nc2c(-c3ncc(N(C)C)cc3C)c(C)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184850
Phase Preclinical
Structure Type MOL
InChI Key AVIYBZJGACSQAF-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.41
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.61
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 C22H32N6
MW 380.54
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 6.82
Ki 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
 Ki 8.0 8.0 10.0 2
Corticotropin-releasing factor receptor 1
CHEMBL1800
 IC50 6.82 6.81 150.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 10.0 nM 8.0 Binding affinity for recombinant human CRF1 receptor 15225703
Corticotropin-releasing factor receptor 1 Ki = 10.0 nM 8.0 Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor 15341493
Corticotropin-releasing factor receptor 1 IC50 = 150.0 nM 6.82 Inhibition of CRF-stimulated cAMP production in cells expressing CRF1 receptor 15225703
Corticotropin-releasing factor receptor 1 IC50 = 160.0 nM 6.8 Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor 15341493

Literature References

PubMed DOI Target Context # Activities
15225703 10.1016/j.bmcl.2004.05.056 Corticotropin-releasing factor receptor 1 2
15341493 10.1021/jm040058e Corticotropin-releasing factor receptor 1 2

Data from ChEMBL 36 via Core Engine