Chemistry:GAT100

GAT100
Identifiers
	IUPAC name 3-ethyl-5-isothiocyanato-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide;
CAS Number	1663564-42-8;
ChemSpider	58145179;
Chemical and physical data
Formula	C25H28N4OS
Molar mass	432.59 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCc1c([nH]c2ccc(cc12)N=C=S)C(=O)NCCc3ccc(cc3)N4CCCCC4;
	InChI InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30); Key:YIYLMDVRSNXYOT-UHFFFAOYSA-N;

Short description: Chemical compound; modulator of the cannabinoid CB1 receptor

GAT100 is a negative allosteric modulator of the cannabinoid CB₁ receptor.^[1]^[2]

References

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Original source: https://en.wikipedia.org/wiki/GAT100. Read more

Identifiers

IUPAC name 3-ethyl-5-isothiocyanato-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide
CAS Number	1663564-42-8
ChemSpider	58145179
Chemical and physical data
Formula	C₂₅H₂₈N₄OS
Molar mass	432.59 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCc1c([nH]c2ccc(cc12)N=C=S)C(=O)NCCc3ccc(cc3)N4CCCCC4
InChI InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30) Key:YIYLMDVRSNXYOT-UHFFFAOYSA-N