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

CHEMBL2348445

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
Cc1cnn2c1nnc1ccc(Cl)cc12

Basic Information

ChEMBL ID CHEMBL2348445
Phase Preclinical
Structure Type MOL
InChI Key DDCLXOCXIONITG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.7
MW (Da)
2.24
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7ClN4
MW 218.65
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -2.11

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 400.0 nM 6.4 Displacement of [3H]Ro15-1788 from GABA-A receptor benzodiazepine binding site i... 23490154

Literature References

PubMed DOI Target Context # Activities
23490154 10.1016/j.bmc.2013.02.027 Unchecked 1

Data from ChEMBL 36 via Core Engine