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
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.