Details of the Drug

General Information of Drug (ID: DMK57GB)

Drug Name
Ethinamate
Synonyms
Ethinamat; Ethinamatum; Ethinimate; Etinamate; Etinamato; Valamid; Valamin; Valaminetta; Valaminettae; Valaminetten; Valmid; Valmidate; Volamin; Ethynylcyclohexyl carbamate; Carbamate de L'ethinylcyclohexanol; Carbamate de l'ethinylcyclohexanol [French]; Ethinamatum [INN-Latin]; Etinamato [INN-Spanish]; USAF EL-42; Valamin (TN); Valmid (TN); Aethinyl-cyclohexyl-carbamat; Aethinyl-cyclohexyl-carbamat [German]; Carbamic acid, 1-ethynylcyclohexyl ester; Ethinamate (JAN/INN); Ethinamate [INN:BAN:JAN]; Cyclohexanol, 1-ethynyl-, carbamate; Cyclohexanol, 1-ethynyl-, 1-carbamate; (1-ethynylcyclohexyl) carbamate; 1-Ethinylcyclohexyl carbamate; 1-Ethinylcyclohexyl carbonate; 1-Ethynylcyclohexanol carbamate; 1-Ethynylcyclohexyl carbamate; 1-ethynylcyclohexylcarbamate
Indication
Disease Entry ICD 11 Status REF
Insomnia 7A00-7A0Z Approved [1]
Therapeutic Class
Hypnotics and Sedatives
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 167.2
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption
The drug is rapidly absorbed following oral administration []
Half-life
The concentration or amount of drug in body reduced by one-half in 2.5 hours [2]
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C9H13NO2
IUPAC Name
(1-ethynylcyclohexyl) carbamate
Canonical SMILES
C#CC1(CCCCC1)OC(=O)N
InChI
InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChIKey
GXRZIMHKGDIBEW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3284
ChEBI ID
CHEMBL4884
CAS Number
126-52-3
UNII
IAN371PP48
DrugBank ID
DB01031
TTD ID
D0CK3G
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Insomnia
ICD Disease Classification 7A00-7A0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7325).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.