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Compound Detail

CHEMBL7614

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Cc1ccc(-c2nnc3nc4ccccc4n3c2O)s1

Basic Information

ChEMBL ID CHEMBL7614
Phase Preclinical
Structure Type MOL
InChI Key ZZTNVBYQWGPYGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.02
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.58
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 C14H10N4OS
MW 282.33
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -1.71

Activity Summary

Ki 1 meas. best 6.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 6.94 6.94 115.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10633040 10.1021/jm991131h GABA-A receptor; anion channel 3

Data from ChEMBL 36 via Core Engine