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
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
CHEBI:4884
CAS Number
126-52-3
DrugBank ID
DB01031
TTD ID
D0CK3G

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.