Note Type	Comments	Provided By
Molecular_Solubility	1.712	Bitter DB
ALOGPS_SOLUBILITY	1.02e+01 g/l	DrugBank-approved
UniProt Database Links	AF1_GRARO; AK1CD_MESAU; CO16D_CONCT; CO17A_CONMA; COR11_PAPSO; COR12_PAPSO; COR13_PAPSO; COR14_PAPSO; COR15_PAPSO; DIOX1_PAPSO; DIOX3_PAPSO; EPHB1_MOUSE; KPCG_BOVIN; KPCG_HUMAN; KPCG_MACFA; KPCG_MOUSE; KPCG_RABIT; KPCG_RAT; MORA_PSEPU; MORA_RABIT; NCS1_CO	ChEBI
Patent Database Links	EP0908186; EP0949242; EP0990653; EP1043312; EP1130018; EP1221443; EP1364943; EP1382605; EP1438962; EP1471055; EP1505063; EP1518555; EP1522542; EP1527778; EP1535615; EP1553089; EP1557169; EP1557179; EP1584335; EP1595867; EP1600154; EP1600160; EP1604666; EP	ChEBI
Patent Database Links	EP1535615; EP1776950; EP1938803; US2005032840; US2007215511; US2007224129; US2007244078	ChEBI
Patent Database Links	EP1600154	ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA2A-1-E	Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	3	0.57	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	90	0.47	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	487	0.42	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	86	0.47	Binding ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	487	0.42	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.48	Binding ≤ 10μM
OPRM-1-E	Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	487	0.42	Binding ≤ 10μM
OPRX-1-E	Nociceptin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	14	0.52	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	9	0.54	Binding ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic	Eukaryotes	487	0.42	Binding ≤ 10μM
OPRD-1-E	Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	65	0.48	Functional ≤ 10μM
OPRK-1-E	Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	65	0.48	Functional ≤ 10μM
OPRM-1-E	Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	57	0.48	Functional ≤ 10μM
SGMR1-1-E	Sigma Opioid Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	29	0.50	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	200	0.45	Binding ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	80	0.47	Functional ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	644	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ADA2A_HUMAN	P08913	Alpha-2a Adrenergic Receptor, Human	3	0.57	Binding ≤ 1μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	226	0.44	Binding ≤ 1μM
OPRD_PIG	P79291	Delta Opioid Receptor, Pig	217	0.44	Binding ≤ 1μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	258	0.44	Binding ≤ 1μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	10	0.53	Binding ≤ 1μM
OPRK_MOUSE	P33534	Kappa Opioid Receptor, Mouse	258	0.44	Binding ≤ 1μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	1.82	0.58	Binding ≤ 1μM
OPRK_CAVPO	P41144	Kappa Opioid Receptor, Guinea Pig	113	0.46	Binding ≤ 1μM
OPRK_RAT	P34975	Kappa Opioid Receptor, Rat	226	0.44	Binding ≤ 1μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	226	0.44	Binding ≤ 1μM
OPRM_CAVPO	P97266	Mu Opioid Receptor, Guinea Pig	0.88	0.60	Binding ≤ 1μM
OPRM_BOVIN	P79350	Mu Opioid Receptor, Bovin	0.5	0.62	Binding ≤ 1μM
OPRM_MOUSE	P42866	Mu Opioid Receptor, Mouse	1.27	0.59	Binding ≤ 1μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	0.57	0.62	Binding ≤ 1μM
OPRX_HUMAN	P41146	Nociceptin Receptor, Human	13.9	0.52	Binding ≤ 1μM
Z50597	Z50597	Rattus Norvegicus	200	0.45	Binding ≤ 1μM
SGMR1_MOUSE	O55242	Sigma Opioid Receptor, Mouse	258	0.44	Binding ≤ 1μM
SGMR1_RAT	Q9R0C9	Sigma Opioid Receptor, Rat	226	0.44	Binding ≤ 1μM
SGMR1_HUMAN	Q99720	Sigma Opioid Receptor, Human	10	0.53	Binding ≤ 1μM
ADA2A_HUMAN	P08913	Alpha-2a Adrenergic Receptor, Human	3	0.57	Binding ≤ 10μM
OPRD_PIG	P79291	Delta Opioid Receptor, Pig	217	0.44	Binding ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	258	0.44	Binding ≤ 10μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	10	0.53	Binding ≤ 10μM
OPRD_RAT	P33533	Delta Opioid Receptor, Rat	226	0.44	Binding ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	1.82	0.58	Binding ≤ 10μM
OPRK_CAVPO	P41144	Kappa Opioid Receptor, Guinea Pig	113	0.46	Binding ≤ 10μM
OPRK_RAT	P34975	Kappa Opioid Receptor, Rat	226	0.44	Binding ≤ 10μM
OPRK_MOUSE	P33534	Kappa Opioid Receptor, Mouse	1549.49	0.39	Binding ≤ 10μM
OPRM_MOUSE	P42866	Mu Opioid Receptor, Mouse	1.27	0.59	Binding ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	0.57	0.62	Binding ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	226	0.44	Binding ≤ 10μM
OPRM_CAVPO	P97266	Mu Opioid Receptor, Guinea Pig	0.88	0.60	Binding ≤ 10μM
OPRM_BOVIN	P79350	Mu Opioid Receptor, Bovin	0.5	0.62	Binding ≤ 10μM
OPRX_HUMAN	P41146	Nociceptin Receptor, Human	13.9	0.52	Binding ≤ 10μM
Z50597	Z50597	Rattus Norvegicus	200	0.45	Binding ≤ 10μM
SGMR1_MOUSE	O55242	Sigma Opioid Receptor, Mouse	258	0.44	Binding ≤ 10μM
SGMR1_RAT	Q9R0C9	Sigma Opioid Receptor, Rat	226	0.44	Binding ≤ 10μM
SGMR1_HUMAN	Q99720	Sigma Opioid Receptor, Human	10	0.53	Binding ≤ 10μM
Z50512	Z50512	Cavia Porcellus	0.13	0.66	Functional ≤ 10μM
OPRD_HUMAN	P41143	Delta Opioid Receptor, Human	24	0.51	Functional ≤ 10μM
OPRD_MOUSE	P32300	Delta Opioid Receptor, Mouse	1600	0.39	Functional ≤ 10μM
OPRK_HUMAN	P41145	Kappa Opioid Receptor, Human	24	0.51	Functional ≤ 10μM
OPRK_MOUSE	P33534	Kappa Opioid Receptor, Mouse	145.1	0.46	Functional ≤ 10μM
OPRM_CAVPO	P97266	Mu Opioid Receptor, Guinea Pig	311	0.43	Functional ≤ 10μM
OPRM_MOUSE	P42866	Mu Opioid Receptor, Mouse	1420	0.39	Functional ≤ 10μM
OPRM_HUMAN	P35372	Mu Opioid Receptor, Human	15.6	0.52	Functional ≤ 10μM
OPRM_RAT	P33535	Mu Opioid Receptor, Rat	21.3	0.51	Functional ≤ 10μM
Z50594	Z50594	Mus Musculus	0.1	0.67	Functional ≤ 10μM
SGMR1_HUMAN	Q99720	Sigma Opioid Receptor, Human	29	0.50	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
Adrenaline signalling through Alpha-2 adrenergic receptor	Homo sapiens (ADA2A_HUMAN)
Adrenaline,noradrenaline inhibits insulin secretion	Homo sapiens (ADA2A_HUMAN)
Adrenoceptors	Homo sapiens (ADA2A_HUMAN)
G alpha (i) signalling events	Rattus norvegicus (OPRD_RAT) Homo sapiens (ADA2A_HUMAN) Sus scrofa (OPRD_PIG) Mus musculus (OPRD_MOUSE)
G alpha (z) signalling events	Homo sapiens (ADA2A_HUMAN)
G-protein activation	Mus musculus (OPRM_MOUSE) Rattus norvegicus (OPRM_RAT) Homo sapiens (OPRM_HUMAN)
Opioid Signalling	Mus musculus (OPRM_MOUSE) Homo sapiens (OPRM_HUMAN) Rattus norvegicus (OPRM_RAT)
Peptide ligand-binding receptors	Homo sapiens (OPRM_HUMAN) Rattus norvegicus (OPRD_RAT) Mus musculus (OPRD_MOUSE) Sus scrofa (OPRD_PIG)

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

Synonyms (139)
Vendors (4)
Annotations (25)
Representations (1)
Notes (6)
Targets (49)
Clustered (17)
Reactome (8)
Rings (0)
Analogs (6)