Details of the Drug

General Information of Drug (ID: DMANBR7)

Drug Name
L-alanyl-l-glutamine
Synonyms Dipeptiven (TN)
Indication
Disease Entry ICD 11 Status REF
Mucositis CA00 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 217.22
Logarithm of the Partition Coefficient (xlogp) -4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H15N3O4
IUPAC Name
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
Canonical SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
InChIKey
HJCMDXDYPOUFDY-WHFBIAKZSA-N
Cross-matching ID
PubChem CID
123935
ChEBI ID
CHEBI:73788
CAS Number
39537-23-0
UNII
U5JDO2770Z
DrugBank ID
DB11876
TTD ID
D07WXE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamine receptor (GluR) TTI7S12 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.