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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.