NFP   Click here for help

GtoPdb Ligand ID: 10185

Synonyms: compound 1 [PMID: 30608693]
Compound class: Synthetic organic
Comment: NFP is a μ/κ opioid receptor dual selective antagonist. It is able to cross the blood-brain barrier so acts both centrally and peripherally [1]. In vivo evidence suggests NFP as a lead compound in the search for new agents to treat opioid abuse and addiction.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 94.92
Molecular weight 465.21
XLogP 1.41
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)CCC1NC(=O)c1ccncc1F)CC1CC1
Isomeric SMILES Oc1ccc2c3c1O[C@@H]1C43CCN([C@H](C2)[C@]4(O)CC[C@H]1NC(=O)c1ccncc1F)CC1CC1
InChI InChI=1S/C26H28FN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25?,26-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 1 [PMID: 30608693]
Database Links Click here for help
Specialist databases
GPCRdb Ligand NFP
Other databases
GtoPdb PubChem SID 381118895
PubChem CID 137321165
Search Google for chemical match using the InChIKey JRUPWWCGTBJDNY-LNMFUWNLSA-N
Search Google for chemicals with the same backbone JRUPWWCGTBJDNY
UniChem Compound Search for chemical match using the InChIKey JRUPWWCGTBJDNY-LNMFUWNLSA-N
UniChem Connectivity Search for chemical match using the InChIKey JRUPWWCGTBJDNY-LNMFUWNLSA-N