General Information of the Compound
| Compound ID |
CP0338014
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| Compound Name |
AJ 76
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| Synonyms |
(+)-AJ 76
(+)-AJ76
(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-1-methyl-N-propyl-, (1S-cis)-
5-methoxy-1-methyl-2-(n-propylamino)tetralin
85379-09-5
AC1L3UEJ
AJ 76
AJ-76
AJ76
BDBM50041959
BDBM81797
BPBio1_001129
Biomol-NT_000004
CHEBI:64117
CHEMBL27441
DTXSID1043889
GTPL970
PDSP2_000777
SCHEMBL276252
Tocris-0678
ZINC3995669
a j76
cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin
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| Structure |
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| Formula |
C15H23NO
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| Molecular Weight |
233.355
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| Canonical SMILES |
CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
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| InChI |
InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1
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| InChIKey |
YGHLYBIUVOLKCV-SMDDNHRTSA-N
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| CAS |
85379-09-5
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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: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01734, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound