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name Structure Reference Source Properties Activities Metabolism

17-Methylmorphinan-3-ol; (±)-form, Me ether

AlkaPlorer ID: AK306159

Synonym: Racemethorphan

IUPAC Name: 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Structure

SMILES: COC1=CC2=C(C=C1)CC1C3CCCCC23CCN1C

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InChI: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3

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InChIKey: MKXZASYAUGDDCJ-UHFFFAOYSA-N

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Reference

PubChem CID: 3008

CAS: 125-69-9

COCONUT: CNP0262547.6

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 271.40399999999994

TPSA？: 12.47

MolLogP？: 3.383400000000002

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Ataxin-2 Potency 39810.7 nM None
Homo sapiens Cerebroside-sulfatase Potency 23934.1 nM None
Homo sapiens Glutamate [NMDA] receptor IC50 240.0 nM 10.1021/jm00100a019
Homo sapiens Glutamate [NMDA] receptor IC50 490.0 nM 10.1021/jm00100a019
Homo sapiens HEK293 Potency 14575.0 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 21192.3 nM None
Mus musculus Mus musculus ED50 0.64 mg.kg-1 10.1021/jm00352a037
Mus musculus Mus musculus ED50 6.78 mg.kg-1 10.1021/jm00352a037
Mus musculus Mus musculus ED50 10.1 mg.kg-1 10.1016/s0960-894x(99)00271-1
Mus musculus Mus musculus ED50 12.9 mg.kg-1 10.1016/s0960-894x(99)00271-1
Mus musculus Mus musculus ED50 nan mg.kg-1 10.1016/s0960-894x(99)00271-1
Mus musculus Opioid receptor IC50 2000.0 nM 10.1021/jm00352a037
Rattus norvegicus Glutamate NMDA receptor IC50 590.0 nM 10.1021/jm00100a019
Rattus norvegicus Glutamate NMDA receptor IC50 2000.0 nM 10.1021/jm00100a019
Rattus norvegicus Glutamate NMDA receptor IC50 nan nM 10.1021/jm00100a019
Rattus norvegicus Rattus norvegicus Absolute turn angular/3 min 192.0 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Rattus norvegicus Absolute turn angular/3 min 265.0 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Rattus norvegicus ED50 38.0 mg.kg-1 10.1021/jm00100a019
Rattus norvegicus Rattus norvegicus ED50 109.0 umol.kg-1 10.1021/jm00100a019
Rattus norvegicus Rattus norvegicus Mortality 2.0 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Rattus norvegicus Mortality 4.0 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Rattus norvegicus Protection 70.0 % 10.1021/jm00100a019
Rattus norvegicus Rattus norvegicus Seizure score 1.4 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Rattus norvegicus Seizure score 2.2 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) IC50 1300.0 nM 10.1016/s0960-894x(99)00271-1
Rattus norvegicus Sodium channel alpha subunits; brain (Types I, II, III) IC50 300000.0 nM 10.1016/s0960-894x(99)00271-1
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 9200.0 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 756.9 nM None
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET LD50 234.0 mg.kg-1 10.1016/s0960-894x(99)00271-1
None ADMET TI nan None 10.1016/s0960-894x(99)00271-1
None NON-PROTEIN TARGET Potency 334.7 nM None
None NON-PROTEIN TARGET Potency 2369.4 nM None
None NON-PROTEIN TARGET Potency 18821.2 nM None
None Unchecked Potency 1635.3 nM None

Metabolism Information