Details of the Drug

General Information of Drug (ID: DMYX34S)

Drug Name
4-Amino Hexanoic Acid
Synonyms
4-Aminohexanoic acid; 5415-99-6; Hexanoic acid, 4-amino-; g-aminocaproic acid; 4-ethyl aminobutyric acid; AC1L3CX4; SCHEMBL900872; CTK1H4537; MolPort-006-169-599; ALBB-018090; NSC11326; NSC-11326; AKOS000277394; AKOS017258812; Hexanoic acid, 4-amino-, hydrochloride
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) 131.17
Logarithm of the Partition Coefficient (xlogp) -2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H13NO2
IUPAC Name
(4S)-4-aminohexanoic acid
Canonical SMILES
CC[C@@H](CCC(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
ROFNJLCLYMMXCT-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
46936928
CAS Number
1334472-86-4
UNII
R907014A4Q
DrugBank ID
DB04235
TTD ID
D0L5IN

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.