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

CHEMBL10698

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
CCN(c1nc(C)cc(-c2ccccc2)n1)c1c(Br)cc(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL10698
Phase Preclinical
Structure Type MOL
InChI Key PHESBIXKHUQQDU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
5.39
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22BrN3O2
MW 428.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.86 7.86 13.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10230640 10.1016/s0960-894x(99)00132-8 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine