Details of the Drug

General Information of Drug (ID: DMDIYFH)

Drug Name
PRE-084
Synonyms
Pre-084; 138847-85-5; 2-Morpholinoethyl 1-Phenylcyclohexanecarboxylate; 2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate; CHEMBL305881; 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate; Cyclohexanecarboxylic acid, 1-phenyl-, 2-(4-morpholinyl)ethyl ester; Tocris-0589; Lopac-P-2607; AC1L2Q9Z; Lopac0_000927; PRE084; GTPL6678; SCHEMBL5564153; CHEBI:93007; DTXSID40160819; EX-A911; BCP25418; BDBM50039197; ZINC25756875; AKOS027439951; CCG-205008; NCGC00024669-03; NCGC00024669-02; NCGC00024669-01; NCGC00015808-04
Indication
Disease Entry ICD 11 Status REF
Aging skin EE40 Terminated [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 317.4
Topological Polar Surface Area (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H27NO3
IUPAC Name
2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
Canonical SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
InChIKey
RQHKZUBCUZVZEF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
126402
ChEBI ID
CHEBI:93007
CAS Number
138847-85-5
TTD ID
D01KIU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor sigma 1 (OPRS1) TT5TPI6 SGMR1_HUMAN Modulator [3], [4], [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Aging skin
ICD Disease Classification EE40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor sigma 1 (OPRS1) DTT SIGMAR1 2.77E-06 -0.12 -0.62
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: 6678).
2 Self-administration of cocaine induces dopamine-independent self-administration of sigma agonists. Neuropsychopharmacology. 2013 Mar;38(4):605-15.
3 Antidepressant-like effect of PRE-084, a selective sigma1 receptor agonist, in Albino Swiss and C57BL/6J mice. Pharmacol Rep. 2009 Nov-Dec;61(6):1179-83.
4 Antitussives and substance abuse. Subst Abuse Rehabil. 2013 Nov 6;4:75-82.
5 Dextromethorphan antagonizes the acute depletion of brain serotonin by p-chloroamphetamine and H75/12 in rats. Brain Res. 1992 Oct 30;594(2):323-6.
6 Dextromethorphan/quinidine: AVP 923, dextromethorphan/cytochrome P450-2D6 inhibitor, quinidine/dextromethorphan. Drugs R D. 2005;6(3):174-7.
7 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
8 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031127)
9 Clinical pipeline report, company report or official report of SK BioPhamaceuticals.
10 Antiamnesic and neuroprotective effects of donepezil against learning impairments induced in mice by exposure to carbon monoxide gas. J Pharmacol Exp Ther. 2006 Jun;317(3):1307-19.
11 Antidepressant-like responses to the combined sigma and 5-HT1A receptor agonist OPC-14523. Neuropharmacology. 2001 Dec;41(8):976-88.
12 2011 Pipeline of Anavex.
13 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
14 Tumor imaging with 2 sigma-receptor ligands, 18F-FE-SA5845 and 11C-SA4503: a feasibility study. J Nucl Med. 2004 Nov;45(11):1939-45.