General Information of the Compound
Compound ID
CP0000305
Compound Name
(-)-(etorphine)
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Synonyms
Astramorph Pf
Avinza
Depodur
Duramorph Pf
Infumorph
Kadian
Morphine
Morphine Sulfate
Ms Contin
Oramorph Sr
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Structure
Formula
C17H19NO3
Molecular Weight
285.343
Canonical SMILES
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
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InChI
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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InChIKey
BQJCRHHNABKAKU-KBQPJGBKSA-N
CAS
47106-99-0
8053-16-5
85201-37-2
Physicochemical Property
logP
1.1981
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
52.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5288826
SID: 14897787
ChEMBL ID
CHEMBL70
DrugBank ID
DB00295
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01685, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06079, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  7
1
EC50 = 316 nM
   TI
   LI
   LO
   TS
2
EC50 > 593 nM
   TI
   LI
   LO
   TS
3
ED50 = 316 nM
   TI
   LI
   LO
   TS
4
Ki = 104.1 nM
   TI
   LI
   LO
   TS
5
Ki = 140 nM
   TI
   LI
   LO
   TS
6
Ki = 150 nM
   TI
   LI
   LO
   TS
7
Ki = 605 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 780 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  1
1
Ki = 104.57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 51 nM
2 Ki = 113.3 nM
3 Ki = 132 nM
4 Ki = 140 nM
5 Ki = 150 nM
6 Ki = 280 nM
7 Ki = 299 nM
8 Ki = 456 nM
Protein ID: PT01526, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 76.9 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  2
1
Ki = 171 nM
   TI
   LI
   LO
   TS
2
Ki = 217 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 1220 nM
2 Ki = 684 nM
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 330 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  12
1
EC50 = 484 nM
   TI
   LI
   LO
   TS
2
ED50 = 1140 nM
   TI
   LI
   LO
   TS
3
Ki = 6.9 nM
   TI
   LI
   LO
   TS
4
Ki = 24 nM
   TI
   LI
   LO
   TS
5
Ki = 36.8 nM
   TI
   LI
   LO
   TS
6
Ki = 46.9 nM
   TI
   LI
   LO
   TS
7
Ki = 60.9 nM
   TI
   LI
   LO
   TS
8
Ki = 61 nM
   TI
   LI
   LO
   TS
9
Ki = 65.5 nM
   TI
   LI
   LO
   TS
10
Ki = 113 nM
   TI
   LI
   LO
   TS
11
Ki = 260 nM
   TI
   LI
   LO
   TS
12
Ki = 299 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1705.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 33 nM
2 Ki = 33.7 nM
3 Ki = 46.9 nM
4 Ki = 52.14 nM
5 Ki = 64 nM
6 Ki = 86 nM
7 Ki = 120 nM
8 Ki = 260 nM
9 Ki = 1900 nM
Protein ID: PT02699, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Activity = 1 nM
   TI
   LI
   LO
   TS
2
EC50 = 120 nM
   TI
   LI
   LO
   TS
3
Ki = 4.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.8 nM
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  16
1
EC50 = 3.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 15.6 nM
   TI
   LI
   LO
   TS
3
EC50 = 34 nM
   TI
   LI
   LO
   TS
4
EC50 = 64 nM
   TI
   LI
   LO
   TS
5
EC50 = 147 nM
   TI
   LI
   LO
   TS
6
ED50 = 37 nM
   TI
   LI
   LO
   TS
7
IC50 = 6.3 nM
   TI
   LI
   LO
   TS
8
Ki = 0.88 nM
   TI
   LI
   LO
   TS
9
Ki = 1.1 nM
   TI
   LI
   LO
   TS
10
Ki = 1.92 nM
   TI
   LI
   LO
   TS
11
Ki = 2.52 nM
   TI
   LI
   LO
   TS
12
Ki = 2.55 nM
   TI
   LI
   LO
   TS
13
Ki = 2.6 nM
   TI
   LI
   LO
   TS
14
Ki = 4.2 nM
   TI
   LI
   LO
   TS
15
Ki = 4.6 nM
   TI
   LI
   LO
   TS
16
Ki = 17 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  6
1
EC50 = 4.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 5 nM
   TI
   LI
   LO
   TS
3
EC50 = 10 nM
   TI
   LI
   LO
   TS
4
EC50 = 379.6 nM
   TI
   LI
   LO
   TS
5
EC50 = 380 nM
   TI
   LI
   LO
   TS
6
Ki = 5.2 nM
   TI
   LI
   LO
   TS
CL000050 HEK293-A Homo sapiens (Human)  3
1
EC50 = 6 nM
   TI
   LI
   LO
   TS
2
EC50 = 6.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 7 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  3
1
EC50 = 8.71 nM
   TI
   LI
   LO
   TS
2
EC50 = 79.43 nM
   TI
   LI
   LO
   TS
3
EC50 = 416.87 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  7
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS
2
EC50 = 501.19 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.57 nM
   TI
   LI
   LO
   TS
4
IC50 = 4.3 nM
   TI
   LI
   LO
   TS
5
Ki = 2.2 nM
   TI
   LI
   LO
   TS
6
Ki = 4 nM
   TI
   LI
   LO
   TS
7
Ki = 4.19 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  1
1
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CL000066 Chem-5 Rattus norvegicus (Rat)  1
1
Ki = 6.08 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 410 nM
2 Ki = 0.53 nM
3 Ki = 1.1 nM
4 Ki = 1.8 nM
5 Ki = 2.84 nM
6 Ki = 3 nM
7 Ki = 3.96 nM
8 Ki = 17 nM
9 Ki = 38 nM
Protein ID: PT01549, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 123.5 nM
   TI
   LI
   LO
   TS
2
Ki = 116.8 nM
   TI
   LI
   LO
   TS
CL000049 C6 Rattus norvegicus (Rat)  3
1
EC50 = 194 nM
   TI
   LI
   LO
   TS
2
Ki = 6.3 nM
   TI
   LI
   LO
   TS
3
Ki = 6.55 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 123.5 nM
2 Ki = 2 nM
3 Ki = 8.14 nM
4 Ki = 36 nM
Protein ID: PT00808, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 187 nM
   TI
   LI
   LO
   TS
2
Ki = 187.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00809, Opioid receptor homologue
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 223 nM
   TI
   LI
   LO
   TS
Protein ID: PT00642, Opioid receptor, delta 1b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1427 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 28000 nM
   TI
   LI
   LO
   TS
2
IC50 = 71790 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Morphine )
Drug Name Morphine
Company Eurohealth International Sarl
Indication
Chronic pain
Approved
Target(s)
Opioid receptor mu (MOP)
Modulator