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
CHEBI:44383
CAS Number
598-50-5
TTD ID
D00DBV
VARIDT ID
DR00721

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.