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
CAS Number
2986-20-1
UNII
236P47H4VR
DrugBank ID
DB02234
TTD ID
D0I7VD

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.