ZCZ-011

ZCZ-011
Identifiers
	IUPAC name 6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole;
CAS Number	1998197-39-9;
PubChem CID	71819307;
IUPHAR/BPS	9239;
ChemSpider	57871143;
PDB ligand	7IC (PDBe, RCSB PDB);
CompTox Dashboard (EPA)	DTXSID801046384 ;
Chemical and physical data
Formula	C21H18N2O2S
Molar mass	362.45 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Cc1ccc2c([nH]c(c3ccccc3)c2C(C[N+]([O-])=O)c4sccc4)c1;
	InChI InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3; Key:RJSPNRDBWHHFMH-UHFFFAOYSA-N;

ZCZ-011 is a positive allosteric modulator of the cannabinoid CB₁ receptor.^[1]^[2]

References

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Identifiers

IUPAC name 6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole
CAS Number	1998197-39-9
PubChem CID	71819307
IUPHAR/BPS	9239
ChemSpider	57871143
PDB ligand	7IC (PDBe, RCSB PDB)
CompTox Dashboard (EPA)	DTXSID801046384
Chemical and physical data
Formula	C₂₁H₁₈N₂O₂S
Molar mass	362.45 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Cc1ccc2c([nH]c(c3ccccc3)c2C(C[N+]([O-])=O)c4sccc4)c1
InChI InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3 Key:RJSPNRDBWHHFMH-UHFFFAOYSA-N