Details of the Drug

General Information of Drug (ID: DMAEQB6)

Drug Name
methylurea
Synonyms
METHYLUREA; 1-Methylurea; N-Methylurea; 598-50-5; Monomethylurea; Urea, methyl-; Methyl urea; urea, N-methyl-; Methylmocovina; N-methyl urea; Methylmocovina [Czech]; Methylharnstoff [German]; CCRIS 9137; EINECS 209-935-0; 1-Methylurea;1-Methylurea; UNII-VZ89YBW3P8; VZ89YBW3P8; AI3-15088; XGEGHDBEHXKFPX-UHFFFAOYSA-N; Methylurea, 97%; Methylharnstoff; methylisourea; methyl-urea; 3-methyl-urea; N-Methylurea, 97%; CH3NHCONH2; ACMC-1AKB9; bmse000738; EC 209-935-0; AC1L1XZ6; KSC271C6B; GTPL4662; DTXSID5060510; CTK1H1160; CHEBI:44383
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 74.08
Logarithm of the Partition Coefficient (xlogp) -1.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C2H6N2O
IUPAC Name
methylurea
Canonical SMILES
CNC(=O)N
InChI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11719
ChEBI ID
CHEMBL44383
CAS Number
598-50-5
TTD ID
D00DBV
VARIDT ID
DR00721
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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 Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Urea transporter 2 (SLC14A2) DT8QC7K UT2_HUMAN Substrate [2]
Urea transporter 1 (SLC14A1) DTMF8LB UT1_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4662).
2 Urea transporter physiology studied in knockout mice. Front Physiol. 2012 Jun 26;3:217.
3 Comparative transport efficiencies of urea analogues through urea transporter UT-B. Biochim Biophys Acta. 2007 Jul;1768(7):1815-21.