Details of the Drug

General Information of Drug (ID: DMV7IAK)

Drug Name
Delta-Amino Valeric Acid
Synonyms DELTA-AMINO VALERIC ACID; 4-Carboxybutylammonium; AC1L9NAD; 4-carboxybutan-1-aminium; (5-hydroxy-5-oxopentyl)azanium; DB02068
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) 118.15
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C5H12NO2+
IUPAC Name
4-carboxybutylazanium
Canonical SMILES
C(CC[NH3+])CC(=O)O
InChI
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1
InChIKey
JJMDCOVWQOJGCB-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
449593
DrugBank ID
DB02068
TTD ID
D06KOT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Delta-aminolevulinic acid dehydratase (ALAD) TTJHKYD HEM2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.