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

CHEMBL392365

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
COc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392365
Phase Preclinical
Structure Type MOL
InChI Key SLOMAKGWPDOURV-PVXIVEMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
4.77
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.85
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 C19H20F3N3O
MW 363.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.72

Activity Summary

EC50 1 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-B receptor
CHEMBL2111463
 EC50 5.69 5.69 2041.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-B receptor EC50 = 2041.74 nM 5.69 Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on ... 17884493

Literature References

PubMed DOI Target Context # Activities
17884493 10.1016/j.bmcl.2007.09.023 GABA-B receptor 4

Data from ChEMBL 36 via Core Engine