Details of the Drug

General Information of Drug (ID: DMPV450)

Drug Name

NIPECOTIC ACID

Synonyms

Piperidine-3-carboxylic acid; 498-95-3; h-dl-nip-oh; EINECS 207-873-9; CHEMBL277498; dl-piperidine-3-carboxylic acid; 60252-41-7; CHEBI:116931; XJLSEXAGTJCILF-UHFFFAOYSA-N; MFCD00005992; SR-01000075612; Nipecotic; h-nip-oh; 3-carboxypiperidine; (y)-Nipecotic acid; ( inverted exclamation markA)-Nipecotic acid; PubChem6793; D-nipecotic acid-HCl; h-dl-pic(3)-oh; (RS)-nipecotic acid

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)

129.16

Logarithm of the Partition Coefficient (xlogp)

-2.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H11NO2
IUPAC Name: piperidine-3-carboxylic acid
Canonical SMILES: C1CC(CNC1)C(=O)O
InChI: InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKey: XJLSEXAGTJCILF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4498
ChEBI ID: CHEBI:116931
CAS Number: 498-95-3
UNII: 1U1QTN40SY
DrugBank ID: DB08849
TTD ID: D0RF2M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[2]
GABA transaminase (ABAT)	TTT2LD9	GABT_HUMAN	Inhibitor	[3]
GABA transporter GAT-1 (SLC6A1)	TTPRKM0	SC6A1_HUMAN	Inhibitor	[4]
GABA transporter-3 (SLC6A11)	TT8RXO5	S6A11_HUMAN	Inhibitor	[4]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4564).
2	2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.
3	Aminomethyl-1,2,4-benzothiadiazines as potential analogues of gamma-aminobutyric acid. Unexpected discovery of a taurine antagonist. J Med Chem. 1982 Feb;25(2):113-6.
4	Epimeric cis-decahydroquinoline-5-carboxylic acids: effects on gamma-aminobutyric acid uptake and receptor binding in vitro. J Med Chem. 1981 Jul;24(7):788-94.
5	Orally active and potent inhibitors of gamma-aminobutyric acid uptake. J Med Chem. 1985 May;28(5):653-60.