Details of the Drug

General Information of Drug (ID: DMBF6KS)

Drug Name
TPMPA
Synonyms (1,2,5,6-tetrahydropyridine-4-yl)methylphosphinic 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) 161.14
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H12NO2P
IUPAC Name
methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid
Canonical SMILES
CP(=O)(C1=CCNCC1)O
InChI
InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
InChIKey
MFUKVPOVVKKLRQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5521
CAS Number
182485-36-5
UNII
TR7I0800L2
DrugBank ID
DB16754
TTD ID
D0U4HM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor rho1 (GABRR1) TT6XFEU GBRR1_HUMAN Antagonist [2]
GABA(A) receptor rho2 (GABRR2) TTQMXLS GBRR2_HUMAN Antagonist [3]
GABA(A) receptor rho3 (GABRR3) TT4N6D8 GBRR3_HUMAN Antagonist [4]
Molecular Interaction Atlas (MIA) 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: 4328).
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: 420).
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: 421).
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: 422).