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Compound Detail

CHEMBL3144652

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Cc1[nH]sc2ncc3c(=O)n(-c4ccc(Cl)cc4)nc3c12

Basic Information

ChEMBL ID CHEMBL3144652
Phase Preclinical
Structure Type MOL
InChI Key FPIZDZRVERJRIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
3.29
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9ClN4OS
MW 316.77
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.58

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 7.0 7.0 99.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1975276 10.1021/jm00171a046 Mus musculus 2
1975276 10.1021/jm00171a046 GABA-A receptor; anion channel 1
1975276 10.1021/jm00171a046 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine