JDTic

JDTic
Clinical data
Other names	JDTic
Identifiers
	IUPAC name (3R)-7-Hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;
CAS Number	361444-66-8 ;
PubChem CID	9956146;
IUPHAR/BPS	7362;
ChemSpider	8131755 ;
UNII	3C6FZ6UXC8;
PDB ligand	JDC (PDBe, RCSB PDB);
CompTox Dashboard (EPA)	DTXSID70433301 ;
Chemical and physical data
Formula	C28H39N3O3
Molar mass	465.638 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O;
	InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 ; Key:ZLVXBBHTMQJRSX-VMGNSXQWSA-N ;
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JDTic is a selective, long-acting ("inactivating") antagonist of the κ-opioid receptor (KOR). JDTic is a 4-phenylpiperidine derivative, distantly related structurally to analgesics such as pethidine and ketobemidone, and more closely to the MOR antagonist alvimopan. In addition, it is structurally distinct from other KOR antagonists such as norbinaltorphimine. JDTic has been used to create crystal structures of KOR [ PDB: 4DJH, 6VI4].