Details of the Drug

General Information of Drug (ID: DMT0K4F)

Drug Name
MTR105
Synonyms
UNII-CTD25O6OBI; CTD25O6OBI; MTR 105; S-Ethylisothiuronium diethyl phosphate; 21704-46-1; Carbamimidothioic acid, ethyl ester, mono(diethyl phospate); Phosphoric acid, diethyl ester, compd. with 2-ethyl-2-thiopseudourea (1:1); Difetur; AC1Q6SNE; AC1L4PKY; CTK4E7529; nitric oxide synthase inhibi-tors; ethyl carbamimidothioate- diethyl hydrogen phosphate(1:1); MTR-105; DTXSID60176093; AKOS030611139; LS-107705; diethyl hydrogen phosphate; Carbamimidothioic acid, ethyl ester, diethyl phosphate (1
Indication
Disease Entry ICD 11 Status REF
Hypotension BA20-BA21 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 258.279
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C7H19N2O4PS
IUPAC Name
diethyl hydrogen phosphate;ethyl carbamimidothioate
Canonical SMILES
CCOP(=O)(O)OCC.CCSC(=N)N
InChI
InChI=1S/C4H11O4P.C3H8N2S/c1-3-7-9(5,6)8-4-2;1-2-6-3(4)5/h3-4H2,1-2H3,(H,5,6);2H2,1H3,(H3,4,5)
InChIKey
CSYSULGPHGCBQD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
210823
CAS Number
21704-46-1
TTD ID
D0X1RQ

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypotension
ICD Disease Classification BA20-BA21
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
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 ClinicalTrials.gov (NCT00482287) Pharmacokinetics and Pharmacodynamics of MTR105 in Hypotensive Cardiac Surgery Patients. U.S. National Institutes of Health.
2 Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.