EcoDrugPlus


Trade Names	DIASTAT DIASTAT ACUDIAL DIAZEPAM DIAZEPAM INTENSOL DIZAC Q-PAM VALIUM VALRELEASE
Synonyms	Alupram 10 Alupram 2 Alupram 5 Ansiolisina Apozepam Atensine Centrazepam Diacepin Dialar Dialar fte Diastat Diastat acudial Diazepam Diazepam civ Diazepam intensol
Status
Molecule Category	Free-form
ATC	N05BA01
UNII	Q3JTX2Q7TU
EPA CompTox	DTXSID4020406


InChI Key	AAOVKJBEBIDNHE-UHFFFAOYSA-N
Smiles	CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChI	InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

Property Name	Value
Molecular Formula	C16H13ClN2O
Molecular Weight	284.75
AlogP	3.15
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	32.67
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family	-	-	-	531	-
Enzyme Hydrolase	-	-	-	43	-
Enzyme Oxidoreductase	-	-	-	-	23
Epigenetic regulator Reader Bromodomain	-	-	-	-	43
Ion channel Ligand-gated ion channel GABA-A receptor	35-131	4-91	23-36	2.1-323	100
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	15.2-45.4
Membrane receptor	-	194	213	574	0-97
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	9.3-51.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	5

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	25-41	-	10-12.3	98
Cavia porcellus	-	14-14.1	-	-	15.2-45.4
Equus caballus	-	-	-	43	-
Homo sapiens	35-131	9.5-110	-	6.6-48.3	5-51.6
Mus musculus	-	12-42	-	-	98-98
Rattus norvegicus	700	2.5-194	1.75-213	1.53-574	-18-100

Target Conservation


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

Countries
Croatia
Romania
Serbia

Resources	Reference
ChEBI	49575
ChEMBL	CHEMBL12
DrugBank	DB00829
DrugCentral	852
FDA SRS	Q3JTX2Q7TU
Human Metabolome Database	HMDB0014967
Guide to Pharmacology	3364
KEGG	C06948
PDB	DZP
PharmGKB	PA449283
PubChem	3016
SureChEMBL	SCHEMBL21442
ZINC	ZINC000000006427

DIAZEPAM

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Environmental Exposure

Cross References