compound C2 [PMID: 29990428]   

GtoPdb Ligand ID: 10273

Synonyms: Ec2la
Compound class: Synthetic organic
Comment: C2 is a positive allosteric modulator (PAM) that targets CB2 receptors. It has reported antinociceptive efficacy in an animal model of neuropathic pain [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 51.1
Molecular weight 434.1
XLogP 6.31
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F
Isomeric SMILES O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F
InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-17(23)11-9-15)21(27)19(14)24-20(26)16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H,24,26)
InChI Key NSGDYZCDUPSTQT-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-{5-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydropyridin-3-yl}cycloheptanecarboxamide
Synonyms
Ec2la
Database Links
GtoPdb PubChem SID 381744954
PubChem CID 137553165
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Tocris
Ec2la
Cat. No. 6832