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Compound Detail

CHEMBL356061

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O=C(NCCCc1ccccc1)C(=O)c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL356061
Phase Preclinical
Structure Type MOL
InChI Key GOYJKJWZABKDJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.10
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O2
MW 306.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.51

Activity Summary

Ki 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 5.9 5.9 1260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8978839 10.1021/jm960240i GABA-A receptor; anion channel 3

Data from ChEMBL 36 via Core Engine