Details of the Drug

General Information of Drug (ID: DMG27K1)

Drug Name
(4e)-4-Aminohex-4-Enoic Acid
Synonyms (4E)-4-AMINOHEX-4-ENOIC ACID; AC1NRBEN; SCHEMBL4320657; (E)-4-aminohex-4-enoic acid
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): 0 Molecular Weight (mw) 129.16
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H11NO2
IUPAC Name
(E)-4-aminohex-4-enoic acid
Canonical SMILES
C/C=C(\\CCC(=O)O)/N
InChI
InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+
InChIKey
KQFBUAIXCIGKAP-GORDUTHDSA-N
Cross-matching ID
PubChem CID
5288385
DrugBank ID
DB01699
TTD ID
D05TEW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transaminase (ABAT) TTT2LD9 GABT_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.