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Compound Detail

CHEMBL283090

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Clc1nc2cc(-c3ccccc3)nnc2c2ccccc12

Basic Information

ChEMBL ID CHEMBL283090
Phase Preclinical
Structure Type MOL
InChI Key WEFZRXGBNHFUIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.7
MW (Da)
4.50
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.38
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 C17H10ClN3
MW 291.74
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 5.21 5.21 6200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2993620 10.1021/jm00147a034 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine