Details of the Drug

General Information of Drug (ID: DM7NSI0)

Drug Name
Urethane
Synonyms
Uretan; Uretan etylowy; Uretano [DCIT]; Urethan; Urethanum; Urethanum [INN-Latin]; Aethylcarbamat; Aethylcarbamat [German]; Aethylurethan; Aethylurethan [German]; Carbamic acid ethyl ester; Carbamic acid, ethyl ester; Carbamidsaeure-aethylester; ETHYL CARBAMATE; Estane 5703; Ethyl urethan; Ethyl urethane; Ethylcarbamate; Ethylester kyseliny karbaminove; Ethylurethan; Ethylurethane; Leucethane; Leucothane; O-Ethyl urethane; O-Ethylurethane; Pracarbamin; Pracarbamine; U-Compound; ethyl aminoformate; urethane; 51-79-6; NSC 746
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 89.09
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C3H7NO2
IUPAC Name
ethyl carbamate
Canonical SMILES
CCOC(=O)N
InChI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
JOYRKODLDBILNP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5641
ChEBI ID
CHEMBL462547
CAS Number
51-79-6
UNII
3IN71E75Z5
DrugBank ID
DB04827
INTEDE ID
DR1663
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytosolic phospholipase A2 (PLA2G4A)
Main DME 		DE08Z3W PA24A_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
(3R)-3-hydroxyacyl-CoA dehydrogenase (HSD17B8) OTX1DWEF DHB8_HUMAN Gene/Protein Processing [2]
(E3-independent) E2 ubiquitin-conjugating enzyme OTHGS2VA UBE2O_HUMAN Gene/Protein Processing [2]
(Lyso)-N-acylphosphatidylethanolamine lipase (ABHD4) OTQK3M9X ABHD4_HUMAN Gene/Protein Processing [2]
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1) OTG2T749 CP24A_HUMAN Gene/Protein Processing [2]
1,5-anhydro-D-fructose reductase (AKR1E2) OT7GBQEB AKCL2_HUMAN Gene/Protein Processing [2]
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (AGPAT2) OT5I4Y9K PLCB_HUMAN Gene/Protein Processing [2]
1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon (AGPAT5) OTNY3VMD PLCE_HUMAN Gene/Protein Processing [2]
1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (ABHD5) OTY829Z3 ABHD5_HUMAN Gene/Protein Processing [2]
1-acylglycerol-3-phosphate O-acyltransferase PNPLA3 (PNPLA3) OTR4990X PLPL3_HUMAN Gene/Protein Processing [2]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-1 (PLCH1) OT6Z1L2E PLCH1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Phospholipase A2 pathway association with macrophage-mediated polycarbonate-urethane biodegradation. Biomaterials. 2005 Jun;26(18):3881-9.
2 Ethyl carbamate induces cell death through its effects on multiple metabolic pathways. Chem Biol Interact. 2017 Nov 1;277:21-32.