General Information of the Compound
| Compound ID |
CP0050068
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| Compound Name |
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
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| Synonyms |
[3H]-naltrindole
(4bs,8r,8as,14br)-7-(Cyclopropylmethyl)-5,6,7,8,14,14b-Hexahydro-4,8-Methano[1]benzofuro[2,3-A]pyrido[4,3-B]carbazole-1,8a(9h)-Diol
111555-53-4
17-Cyclopropylmethyl-6,7-dehydro-4,5-epoxy-3,14-dihydroxy-6,7,2',3'-indolomorphinan
4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (8R-(4bS*,8alpha,8abeta,14bbeta))-
CHEBI:81528
CHEMBL1237164
EJ4
G167Z38QA4
NTI
Naltrindole
UNII-G167Z38QA4
[3H]-naltrindole
[3H]naltrindole
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
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| InChI |
InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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| InChIKey |
WIYUZYBFCWCCQJ-IFKAHUTRSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Cell-based Assay
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT01526, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound
Drug 1 ( [3H]naltrindole )
| Drug Name | [3H]naltrindole | ||
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| Target(s) |
Opioid receptor delta (OPRD1)
Antagonist
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