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

CHEMBL426260

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
Cc1cc(NC(C)C(C)C)n2nc(C)c(-c3cnc(N(C)C)cc3C)c2n1

Basic Information

ChEMBL ID CHEMBL426260
Phase Preclinical
Structure Type MOL
InChI Key FZJJTUZXWPHQFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
4.24
ALogP
6
HBA
1
HBD
58.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N6
MW 366.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.67

Activity Summary

Ki 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341493 10.1021/jm040058e Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine