Details of the Drug

General Information of Drug (ID: DMVIDQL)

Drug Name
D-Alanine
Synonyms
D-alanine; 338-69-2; H-D-Ala-OH; (2R)-2-aminopropanoic acid; (R)-Alanine; (R)-2-aminopropanoic acid; D-2-Aminopropionic acid; D-alpha-Alanine; Alanine, D-; Alanine D-form; D-Alanin; (R)-2-Aminopropionic acid; D-alpha-Aminopropionsaeure; (R)-2-Aminopropionsaeure; Ba 2776; D-alpha-aminopropionic acid; UNII-E3UDS4613U; D-.alpha.-Alanine; D-(-)-Alanine; CHEMBL66693; E3UDS4613U; CHEBI:15570; QNAYBMKLOCPYGJ-UWTATZPHSA-N; MFCD00008077; DAL; NCGC00024493-02; D-Alanine, 99+%; DSSTox_RID_81027; DSSTox_CID_25649; DSSTox_GSID_45649
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 89.09
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H7NO2
IUPAC Name
(2R)-2-aminopropanoic acid
Canonical SMILES
C[C@H](C(=O)O)N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey
QNAYBMKLOCPYGJ-UWTATZPHSA-N
Cross-matching ID
PubChem CID
71080
ChEBI ID
CHEBI:15570
CAS Number
338-69-2
UNII
E3UDS4613U
DrugBank ID
DB01786
TTD ID
D01BCI
VARIDT ID
DR00863

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DD-carboxypeptidase (Bact vanYB) TTLP6GN VANY_ENTFA Inhibitor [2]
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: 4678).
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.