Synonyms
Status
Molecule Category Free-form
ATC M03BX07
UNII FO92091VP8
EPA CompTox DTXSID00146058

Structure

InChI Key IQWYAQCHYZHJOS-UHFFFAOYSA-N
Smiles CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21
InChI
InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17ClN2O
Molecular Weight 288.78
AlogP 3.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Bioactivity

Mechanism of Action Action Reference
GABA-A receptor; anion channel positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed PubMed PubMed PubMed
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit pi

Organism : Homo sapiens

O00591 ENSG00000094755
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit delta

Organism : Homo sapiens

O14764 ENSG00000187730
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-1

Organism : Homo sapiens

P14867 ENSG00000022355
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-1

Organism : Homo sapiens

P18505 ENSG00000163288
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-2

Organism : Homo sapiens

P18507 ENSG00000113327
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-3

Organism : Homo sapiens

P28472 ENSG00000166206
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-5

Organism : Homo sapiens

P31644 ENSG00000186297
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-3

Organism : Homo sapiens

P34903 ENSG00000011677
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-2

Organism : Homo sapiens

P47869 ENSG00000151834
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-2

Organism : Homo sapiens

P47870 ENSG00000145864
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-4

Organism : Homo sapiens

P48169 ENSG00000109158
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit epsilon

Organism : Homo sapiens

P78334 ENSG00000102287
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-6

Organism : Homo sapiens

Q16445 ENSG00000145863
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-1

Organism : Homo sapiens

Q8N1C3 ENSG00000163285
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-3

Organism : Homo sapiens

Q99928 ENSG00000182256
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit theta

Organism : Homo sapiens

Q9UN88 ENSG00000268089

Cross References

Resources Reference
ChEBI 135198
ChEMBL CHEMBL2105527
DrugBank DB13324
DrugCentral 2614
FDA SRS FO92091VP8
Human Metabolome Database HMDB0042029
PubChem 25215
SureChEMBL SCHEMBL157998
ZINC ZINC000000002144