Details of the Drug

General Information of Drug (ID: DMX07BG)

Drug Name

Cis-4-hydroxynipecotic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

145.16

Logarithm of the Partition Coefficient (xlogp)

-2.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H11NO3
IUPAC Name: (3R,4S)-4-hydroxypiperidine-3-carboxylic acid
Canonical SMILES: C1CNC[C@H]([C@H]1O)C(=O)O
InChI: InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChIKey: DAMFVOCECLPLSI-UHNVWZDZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid uptake (GABAU)	TTV9MQG	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	GABA uptake inhibitors. Synthesis and effects on audiogenic seizures of ester prodrugs of nipecotic acid, guvacine and cis-4-hydroxynipecotic acid. Drug Des Deliv. 1987 Sep;2(1):9-21.