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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.