Naloxone

Representations & DB's id
ChEBI:	CHEBI:7459
ChEMBL:	CHEMBL80
PubChem:	5284596
IUPAC:	(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Standard InChI:	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
Standard InChI Key:	UZHSEJADLWPNLE-GRGSLBFTSA-N
SMILES:	C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O

Molecular propeties
AlogP:	1.3
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	5
Molecular Weight:	327.15
Topological polar surface area:	70
Number of aromatic rings:	1
Fsp3:	0.526
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Papaver somniferum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	41 nM	Delta opioid receptor	P41143
Ki	1.2 nM	Kappa opioid receptor	P41145
Ki	33 nM	Delta opioid receptor	P41143
IC50	7.3 nM	Mu opioid receptor	P35372
IC50	1.6 nM	Adenosine A3 receptor	P0DMS8
Ki	3.7 nM	Mu opioid receptor	P35372
Ki	9.2 nM	Kappa opioid receptor	P41145
Ki	33 nM	Delta opioid receptor	P41143
IC50	7.3 nM	Mu opioid receptor	P35372
Ki	3.7 nM	Mu opioid receptor	P35372
Ki	9.2 nM	Kappa opioid receptor	P41145
Ki	33 nM	Delta opioid receptor	P41143
IC50	7.3 nM	Mu opioid receptor	P35372
Kd	0.2188 nM	Mu opioid receptor	P35372
Others	0.1 %	Mu opioid receptor	P35372
Ki	0.79 nM	Mu opioid receptor	P35372
Ki	1.1 nM	Kappa opioid receptor	P41145
Ki	76 nM	Delta opioid receptor	P41143
EC50	10 nM	Kappa opioid receptor	P41145
IC50	320 nM	Kappa opioid receptor	P41145
IC50	23 nM	Mu opioid receptor	P35372
IC50	138 nM	Delta opioid receptor	P41143
IC50	138 nM	Delta opioid receptor	P41143
IC50	138 nM	Delta opioid receptor	P41143
Ki	3.7 nM	Mu opioid receptor	P35372
IC50	7.3 nM	Mu opioid receptor	P35372
Ki	9.2 nM	Kappa opioid receptor	P41145
Ki	33 nM	Delta opioid receptor	P41143
Ki	0.66 nM	Mu opioid receptor	P35372
Ki	120 nM	Delta opioid receptor	P41143
Ki	1.2 nM	Kappa opioid receptor	P41145
IC50	138 nM	Delta opioid receptor	P41143
Ki	3 nM	Kappa opioid receptor	P41145
Ki	0.98 nM	Mu opioid receptor	P35372
Ki	51 nM	Delta opioid receptor	P41143
Ki	14.7 nM	Kappa opioid receptor	P41145
Ki	38 nM	Delta opioid receptor	P41143
Ki	0.25 nM	Kappa opioid receptor	P41145
Ki	0.23 nM	Mu opioid receptor	P35372
Ki	4.467 nM	Kappa opioid receptor	P41145
Ki	21.38 nM	Delta opioid receptor	P41143
Ki	0.5623 nM	Mu opioid receptor	P35372
Others	106.4 %	Delta opioid receptor	P41143
Others	101.6 %	Kappa opioid receptor	P41145
Others	97 %	Mu opioid receptor	P35372
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-1	P22309
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-10	Q9HAW8
Others	14 pm/min/mg	UDP-glucuronosyltransferase 1-3	P35503
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1A4	P22310
Others	81 pm/min/mg	UDP-glucuronosyltransferase 1-8	Q9HAW9
Others	0 pm/min/mg	UDP-glucuronosyltransferase 2B15	P54855
Others	2908 pm/min/mg	UDP-glucuronosyltransferase 2B7	P16662
Others	3462 pm/min/mg	UDP-glucuronosyltransferase 2B7	P16662
Others	131 pm/min/mg	UDP-glucuronosyltransferase 2B7	P16662
Others	3400 pm/min/mg	UDP-glucuronosyltransferase 2B7	P16662
Others	100.1 %	Mu opioid receptor	P35372
Others	105.6 %	Kappa opioid receptor	P41145
Others	103.4 %	Delta opioid receptor	P41143
IC50	1.87 nM	Mu opioid receptor	P35372
Ki	2.3 nM	Mu opioid receptor	P35372
Ki	103 nM	Delta opioid receptor	P41143
Ki	354 nM	Mu opioid receptor	P35372
Ki	1516 nM	Delta opioid receptor	P41143
Ki	362 nM	Kappa opioid receptor	P41145
IC50	50000 nM	Cytochrome P450 2J2	P51589
Ki	30 nM	Delta opioid receptor	P41143
Others	97 %	Mu opioid receptor	P35372
Others	101.6 %	Kappa opioid receptor	P41145
Others	106.4 %	Delta opioid receptor	P41143
Ki	1.148 nM	Mu opioid receptor	P35372
Ki	1.259 nM	Mu opioid receptor	P35372
Ki	15 nM	Kappa opioid receptor	P41145
Ki	2.3 nM	Mu opioid receptor	P35372
Ki	103 nM	Delta opioid receptor	P41143

Naloxone

Representations & DB's id

Molecular propeties

Plant sources

In vitro data