Note Type	Comments	Provided By
ALOGPS_SOLUBILITY	3.07e+00 g/l	DrugBank-approved
Indications	antidependency	KeyOrganics Bioactives
PUBCHEM_PATENT_ID	EP0005636A1; EP0107855A1; EP0144341A1; EP0170090A1; EP0250796A2; EP0263968A2; EP0567205A1; EP0850050B1; EP0911334A1; EP0954314A1; US4089855; US4217353; US4477457; US4478840; US4496570; US4668685; US4673679; US4722928; US4990617; US5071985; US5760044; US59	IBM Patent Data
Therapy	morphine antagonist	SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-3631; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE TO OFF-WHITE POWDER; 1 hydrogen chloride	NIH Clinical Collection via PubChem
Target	Opioid Receptor	Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-3631; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE TO OFF-WHITE POWDER	NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	95	0.39	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	10	0.45	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	6	0.46	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	22	0.43	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.46	Functional ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.49	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.50	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	50	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	0.5	0.52	Binding ≤ 1μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	12.27	0.44	Binding ≤ 1μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	0.1	0.56	Binding ≤ 1μM
OPRK_RAT	P34975	Kappa Opioid Receptor, Rat	0.5	0.52	Binding ≤ 1μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	0.1	0.56	Binding ≤ 1μM
OPRK_CAVPO	P41144	Kappa Opioid Receptor, Guinea Pig	0.373	0.53	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	0.5	0.52	Binding ≤ 1μM
OPRM_CAVPO	P97266	Mu Opioid Receptor, Guinea Pig	0.325	0.53	Binding ≤ 1μM
OPRM_MOUSE	P42866	Mu Opioid Receptor, Mouse	0.265	0.54	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	0.1	0.56	Binding ≤ 1μM
SGMR1_RAT	Q9R0C9	Sigma Opioid Receptor, Rat	0.55	0.52	Binding ≤ 1μM
SGMR1_HUMAN	Q99720	Sigma Opioid Receptor, Human	5.7	0.46	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	0.5	0.52	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	12.27	0.44	Binding ≤ 10μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	0.1	0.56	Binding ≤ 10μM
OPRK_RAT	P34975	Kappa Opioid Receptor, Rat	0.5	0.52	Binding ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	0.1	0.56	Binding ≤ 10μM
OPRK_CAVPO	P41144	Kappa Opioid Receptor, Guinea Pig	0.373	0.53	Binding ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	0.1	0.56	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	0.5	0.52	Binding ≤ 10μM
OPRM_CAVPO	P97266	Mu Opioid Receptor, Guinea Pig	0.325	0.53	Binding ≤ 10μM
OPRM_MOUSE	P42866	Mu Opioid Receptor, Mouse	0.265	0.54	Binding ≤ 10μM
SGMR1_RAT	Q9R0C9	Sigma Opioid Receptor, Rat	0.55	0.52	Binding ≤ 10μM
SGMR1_HUMAN	Q99720	Sigma Opioid Receptor, Human	5.7	0.46	Binding ≤ 10μM
Z50512	Z50512	Cavia Porcellus	50	0.41	Functional ≤ 10μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	5.44	0.46	Functional ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	1.86	0.49	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	0.59	0.52	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
G alpha (i) signalling events	Mus musculus (OPRD_MOUSE) Rattus norvegicus (OPRD_RAT) Homo sapiens (OPRM_HUMAN)
G-protein activation	Rattus norvegicus (OPRM_RAT) Mus musculus (OPRM_MOUSE) Homo sapiens (OPRM_HUMAN)
Opioid Signalling	Homo sapiens (OPRM_HUMAN) Rattus norvegicus (OPRM_RAT) Mus musculus (OPRM_MOUSE)
Peptide ligand-binding receptors	Mus musculus (OPRD_MOUSE) Homo sapiens (OPRM_HUMAN) Rattus norvegicus (OPRD_RAT)

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (95)
Vendors (22)
Annotations (29)
Representations (1)
Notes (7)
Targets (28)
Clustered (8)
Reactome (4)
Rings (0)
Analogs (9)