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

CHEMBL456660

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
CCc1cc(C#N)ccc1N1CCc2c(-n3ccc(N4CCNC4=O)n3)cc(C)nc21

Basic Information

ChEMBL ID CHEMBL456660
Phase Preclinical
Structure Type MOL
InChI Key GDLJPDYHXFKVAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.23
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7O
MW 413.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
IC50 7.3 7.3 50.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18989952 10.1021/jm800744m Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine