Details of the Drug

General Information of Drug (ID: DM9VQ0T)

Drug Name
4-Hydroxy-piperidine-3-carboxylic acid
Synonyms CHEMBL277372; SCHEMBL5426302; ZINC26898692; BDBM50223874; AKOS006353852; (3S)-4alpha-Hydroxypiperidine-3alpha-carboxylic 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): 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
(3S,4R)-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+/m0/s1
InChIKey
DAMFVOCECLPLSI-CRCLSJGQSA-N
Cross-matching ID
PubChem CID
21125089
TTD ID
D0ER1G

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transporter GAT-1 (SLC6A1) TTPRKM0 SC6A1_HUMAN Inhibitor [1]
GABA transporter-3 (SLC6A11) TT8RXO5 S6A11_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GABA transporter GAT-1 (SLC6A1) DTT SLC6A1 4.99E-02 -0.24 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Hydroxy- and amino-substituted piperidinecarboxylic acids as gamma-aminobutyric acid agonists and uptake inhibitors. J Med Chem. 1982 Oct;25(10):1157-62.