Details of the Drug

General Information of Drug (ID: DMV9OCU)

Drug Name
Ethylisothiourea
Synonyms
etiron; 2-Ethyl-2-thiopseudourea; ethyron; ETHYLISOTHIOUREA; 2-Ethyl-isothiourea; 2986-20-1; Carbamimidothioic acid, ethyl ester; UNII-236P47H4VR; Pseudourea, 2-ethyl-2-thio-; CHEMBL321691; VFIZBHJTOHUOEK-UHFFFAOYSA-N; 236P47H4VR; S-ethyl-thioureum; Ethiron (Salt/Mix); Ethyl imidothiocarbamate; Tocris-0873; ethylsulfanyl-formamidine; AC1L1JOU; Lopac-E-3149; Ethyl imidothiocarbamate #; AC1Q1UA8; WR 539 (Salt/Mix); Lopac0_000491; SCHEMBL160501
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 104.18
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C3H8N2S
IUPAC Name
ethyl carbamimidothioate
Canonical SMILES
CCSC(=N)N
InChI
InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
InChIKey
VFIZBHJTOHUOEK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5139
ChEBI ID
CHEMBL321691
CAS Number
2986-20-1
UNII
236P47H4VR
DrugBank ID
DB02234
TTD ID
D0I7VD
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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
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nitric-oxide synthase inducible (NOS2) DTT NOS2 9.15E-01 -0.02 -0.09
Nitric-oxide synthase endothelial (NOS3) DTT NOS3 3.68E-01 -0.11 -0.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.