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
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
JOYRKODLDBILNP-UHFFFAOYSA-N
InChIKey
1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
Cross-matching ID
PubChem CID
5641
ChEBI ID
CHEBI:17967
CAS Number
51-79-6
DrugBank ID
DB04827
INTEDE ID
DR1663

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 3-phosphate 5-kinase (PIKFYVE) OTO3HGAA FYV1_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.