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Compound Detail

CHEMBL127359

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Cc1cccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL127359
Phase Preclinical
Structure Type MOL
InChI Key AWYFFVNNJPXNDM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.80
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O2
MW 293.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Activity Summary

Ki 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9748357 10.1021/jm9800301 GABA-A receptor; anion channel 3

Data from ChEMBL 36 via Core Engine