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

CHEMBL5802392

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
Cc1ccccc1[C@@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5802392
Phase Preclinical
Structure Type MOL
InChI Key XLNXHZLYJLQCGC-AZUAARDMSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
4.42
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30F3N3O2
MW 449.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 7.7
EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
EC50 9.1 9.1 0.8 1
Somatostatin receptor type 4
CHEMBL1853
IC50 7.7 7.7 20.0 1
Somatostatin receptor type 1
CHEMBL1917
IC50 6.5 6.5 316.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine