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CJ-15,208

AlkaPlorer ID: AK071552

Synonym: '', 'CJ 15208'

IUPAC Name: (3S,6S,9S,12R)-3,9-dibenzyl-6-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Structure

SMILES: O=C1[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]2CCCN12

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InChI: InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1

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InChIKey: GIZJWWQFOGQPRY-GCXHJFECSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ctenomyces serratus Ctenomyces Arthrodermataceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 577.685

TPSA？: 133.87

MolLogP？: 5.175700000000004

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus G_PROTEIN_RECEP_F1_2 domain-containing protein IC50 2600.0 nM 10.1016/j.ejmech.2017.10.012
Cavia porcellus Kappa opioid receptor IC50 47.0 nM 10.1016/j.bmcl.2009.04.105
Cavia porcellus Kappa opioid receptor IC50 47.0 nM 10.1016/j.ejmech.2017.10.012
Cavia porcellus Kappa opioid receptor IC50 47.0 nM 10.1021/jm301783x
Cavia porcellus Mu opioid receptor IC50 260.0 nM 10.1016/j.bmcl.2009.04.105
Cavia porcellus Mu opioid receptor IC50 260.0 nM 10.1016/j.ejmech.2017.10.012
Cavia porcellus Mu opioid receptor IC50 260.0 nM 10.1021/jm301783x
Cavia porcellus Opioid receptor (mu and kappa) Ratio IC50 5.5 None 10.1016/j.bmcl.2009.04.105
Homo sapiens Delta opioid receptor IC50 2600.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Delta opioid receptor Ki 2000.0 nM 10.1016/j.bmcl.2009.04.105
Homo sapiens Delta opioid receptor Ki 100000.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Kappa opioid receptor IC50 47.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Kappa opioid receptor IC50 440.0 nM 10.1016/j.bmcl.2009.04.105
Homo sapiens Kappa opioid receptor Kb 65.2 nM 10.1021/acs.jmedchem.0c01915
Homo sapiens Kappa opioid receptor Ki 29.0 nM 10.1016/j.bmcl.2009.04.105
Homo sapiens Kappa opioid receptor Ki 32.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Mu opioid receptor IC50 25.0 nM 10.1016/j.bmcl.2009.04.105
Homo sapiens Mu opioid receptor IC50 260.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Mu opioid receptor Kb 10.2 nM 10.1021/acs.jmedchem.0c01915
Homo sapiens Mu opioid receptor Ki 127.0 nM 10.1021/acs.jmedchem.6b00420
Homo sapiens Mu opioid receptor Ki 130.0 nM 10.1016/j.bmcl.2009.04.105
Mus musculus Delta opioid receptor Ki 4150.0 nM 10.1021/acs.jmedchem.0c01915
Mus musculus Delta opioid receptor Ki 4150.0 nM 10.1021/jm301783x
Mus musculus Mus musculus Activity nan None 10.1021/np300697k
Mus musculus Mus musculus EC50 3.71 nM 10.1021/jm301783x
Mus musculus Mus musculus ED50 1.74 mg.kg-1 10.1021/acs.jmedchem.0c01915
Mus musculus Mus musculus ED50 3.49 mg.kg-1 10.1021/np300697k
Mus musculus Mus musculus ED50 3.71 mg.kg-1 10.1021/acs.jmedchem.0c01915
Mus musculus Mus musculus Inhibition nan % 10.1021/np300697k
Rattus norvegicus Kappa opioid receptor Ki 27.4 nM 10.1021/acs.jmedchem.0c01915
Rattus norvegicus Kappa opioid receptor Ki 35.4 nM 10.1021/acs.jmedchem.0c01915
Rattus norvegicus Kappa opioid receptor Ki 35.4 nM 10.1021/jm301783x
Rattus norvegicus Mu opioid receptor Ki 451.0 nM 10.1021/acs.jmedchem.0c01915
Rattus norvegicus Mu opioid receptor Ki 619.0 nM 10.1021/acs.jmedchem.0c01915
Rattus norvegicus Mu opioid receptor Ki 619.0 nM 10.1021/jm301783x
None ADMET ED50 5.23 nmol 10.1021/acs.jmedchem.0c01915
None ADMET T1/2 0.8167 hr 10.1021/acs.jmedchem.0c01915
None Unchecked EC50 1300.0 nM 10.1016/j.bmcl.2009.04.105
None Unchecked EC50 1300.0 nM 10.1021/acs.jmedchem.6b00420
None Unchecked ED50 1.3 uM 10.1016/j.ejmech.2017.10.012
None Unchecked IC50 2600.0 nM 10.1016/j.bmcl.2009.04.105
None Unchecked IC50 2600.0 nM 10.1021/jm301783x
None Unchecked Ratio Ki 4.5 None 10.1016/j.bmcl.2009.04.105

Metabolism Information