Details of the Drug

General Information of Drug (ID: DM3FLIX)

Drug Name
Selfotel
Synonyms
Selfotel; 110347-85-8; CGS 19755; CGS-19755; Selfotel [USAN:INN]; CPDD 0027; (2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid; UNII-N0905W44Y3; H-4-Pal-OH.2HCl; cis-4-(Phosphonomethyl)pipecolic acid; CHEMBL39664; 2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, cis-; CIS-4-[PHOSPHONOMETHYL]-PIPERIDINE-2-CARBOXYLIC ACID; CHEBI:34973; 2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, (2S,4R)-; N0905W44Y3; 113229-62-2; cis-4-(phosphonomethyl)piperidine-2-carboxylic acid; Selfotel, (+)-
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Discontinued in Phase 3 [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 223.16
Topological Polar Surface Area (xlogp) -3.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H14NO5P
IUPAC Name
(2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
Canonical SMILES
C1CN[C@@H](C[C@@H]1CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChIKey
LPMRCCNDNGONCD-RITPCOANSA-N
Cross-matching ID
PubChem CID
68736
ChEBI ID
CHEBI:34973
CAS Number
110347-85-8
TTD ID
D0H1FV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Antagonist [3]
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: 4155).
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001276)
3 Neuroprotective agents for the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2003 Jan;3(1):9-20.
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5 How many modes of action should an antibiotic have Curr Opin Pharmacol. 2008 Oct;8(5):564-73.
6 Amphetamine inhibits the N-methyl-D-aspartate receptor-mediated responses by directly interacting with the receptor/channel complex. J Pharmacol Exp Ther. 2002 Mar;300(3):1008-16.
7 Ketamine modulates theta and gamma oscillations. J Cogn Neurosci. 2010 Jul;22(7):1452-64.
8 Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45.
9 The NMDA receptor antagonist memantine as a symptomatological and neuroprotective treatment for Alzheimer's disease: preclinical evidence. Int J Geriatr Psychiatry. 2003 Sep;18(Suppl 1):S23-32.
10 Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
11 Magnesium sulfate diminishes the effects of amide local anesthetics in rat sciatic-nerve block. Reg Anesth Pain Med. 2007 Jul-Aug;32(4):288-95.
12 Emerging drugs for acute ischemic stroke. Expert Opin Emerg Drugs. 2009 Mar;14(1):33-42.