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

CHEMBL514126

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(OC(F)(F)F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21

Basic Information

ChEMBL ID CHEMBL514126
Phase Preclinical
Structure Type MOL
InChI Key FIUZUYYVNFIDRD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
5.29
ALogP
7
HBA
0
HBD
56.1
PSA (Ų)
0.43
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 C21H16F3N5OS
MW 443.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
IC50 6.59 6.59 257.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18975927 10.1021/jm800743q Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine