ArrestinDb

JDTic

Agent/drug
Bioactivity

JDTic

SMILES	CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
InChIKey	ZLVXBBHTMQJRSX-VMGNSXQWSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	4
Rotatable bonds	6
Molecular weight (Da)	465.3

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	4DJH 6VI4

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Rat	Opioid	A	pKi	6.52	6.52	6.52	ChEMBL
δ	OPRD	Human	Opioid	A	pKi	6.73	7.23	7.53	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.00	10.21	9.40	Guide to Pharmacology
κ	OPRK	Guinea pig	Opioid	A	pKi	9.49	10.09	10.70	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.39	10.29	11.00	ChEMBL
κ	OPRK	Human	Opioid	A	pKd	10.46	10.46	10.46	ChEMBL
κ	OPRK	Rat	Opioid	A	pKi	9.49	9.49	9.49	ChEMBL
μ	OPRM	Rat	Opioid	A	pKi	8.43	8.51	8.67	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.94	8.45	9.02	ChEMBL

Showing 1 to 9 of 9 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.42	6.42	6.42	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	8.22	8.22	8.22	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.92	6.92	6.92	ChEMBL

Showing 1 to 3 of 3 entries

JDTic

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Structure pdb	4DJH 6VI4

Compound is not listed as a drug.