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

CHEMBL237801

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
Cc1ncc(-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 CHEMBL237801
Phase Preclinical
Structure Type MOL
InChI Key ADHZHPOKTRHZGT-HACGYAERSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
5.07
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.84
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F3N3
MW 347.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.81

Activity Summary

EC50 1 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-B receptor
CHEMBL2111463
 EC50 5.78 5.78 1659.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-B receptor EC50 = 1659.59 nM 5.78 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