Details of the Drug

General Information of Drug (ID: DMMIZWE)

Drug Name
piperidine-4-sulphonic acid
Synonyms
piperidine-4-sulfonic acid; Piperidine-4-sulphonic acid; 4-Piperidinesulfonic acid; 72450-62-5; CHEMBL34155; P4S; C5H11NO3S; AC1Q6WTY; Lopac-P-9159; AC1L1J2H; Lopac0_001024; MLS000069699; SCHEMBL106762; GTPL4287; DTXSID70222752; Piperidine-4-sulfonic acid (P4S); ZINC2516028; FCH838660; MFCD00055097; BDBM50087272; AKOS006272381; API0008543; CCG-205104; NCGC00093348-02; NCGC00015855-04; NCGC00093348-03; NCGC00015855-01; NCGC00015855-03; NCGC00015855-02; SMR000058505; DA-17251; AB1009736; LS-176970; FT-0688685; EU-0101024; P 9159
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 165.21
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H11NO3S
IUPAC Name
piperidine-4-sulfonic acid
Canonical SMILES
C1CNCCC1S(=O)(=O)O
InChI
InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
InChIKey
UGBJGGRINDTHIH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4838
ChEBI ID
CHEMBL34155
CAS Number
72450-62-5
TTD ID
D0VW5M
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-2 (GABRA2) TTBMV1G GBRA2_HUMAN Agonist [2]
GABA(A) receptor alpha-3 (GABRA3) TT37EDJ GBRA3_HUMAN Agonist [3]
GABA(A) receptor alpha-5 (GABRA5) TTNZPQ1 GBRA5_HUMAN Agonist [4]
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Agonist [5]
GABA(A) receptor rho1 (GABRR1) TT6XFEU GBRR1_HUMAN Antagonist [6]
GABA(A) receptor rho2 (GABRR2) TTQMXLS GBRR2_HUMAN Antagonist [7]
GABA(A) receptor rho3 (GABRR3) TT4N6D8 GBRR3_HUMAN Antagonist [8]
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(A) receptor alpha-5 (GABRA5) DTT GABRA5 3.15E-09 -0.68 -0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 4287).
2 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. (Target id: 405).
3 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. (Target id: 406).
4 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. (Target id: 408).
5 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. (Target id: 415).
6 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. (Target id: 420).
7 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. (Target id: 421).
8 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. (Target id: 422).