General Information of Drug (ID: DMQB8TW)

Drug Name
Mimosine
Synonyms
Mimosine; Leucenol; 10182-82-8; WZNJWVWKTVETCG-UHFFFAOYSA-N; NSC69188; NSC159548; 1(4H)-Pyridinealanine, 3-hydroxy-4-oxo-; beta-[N-(3-Hydroxy-4-pyridone)]-alpha-aminopropionic Acid; 1(4H)-Pyridinepropanoic acid, .alpha.-amino-3-hydroxy-4-oxo-, (.alpha.S)-; beta-(N-(3-Hydroxy-4-pyridone))-alpha-aminopropionic acid; Prestwick_830; Spectrum_000287; AC1L1GVQ; Spectrum4_000110; Prestwick0_000379; Mimosine, (+/-)-; Spectrum2_000656; Spectrum3_000722; Prestwick2_000379; Spectrum5_001484; Prestwick1_000379
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 198.18
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H10N2O4
IUPAC Name
2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid
Canonical SMILES
C1=CN(C=C(C1=O)O)CC(C(=O)O)N
InChI
InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)
InChIKey
WZNJWVWKTVETCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3862
ChEBI ID
CHEBI:95190
CAS Number
2116-55-4
UNII
Z46B1LUI5N
DrugBank ID
DB01055
TTD ID
D04ZWL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Serine hydroxymethyltransferase (Malaria SHMT) TTO8YH2 Q8I566_PLAF7 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mimosine targets serine hydroxymethyltransferase. J Biol Chem. 1996 Feb 2;271(5):2548-56.