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Name | CHEMBL574700 |
---|---|
Molecular formula | C36H46N6O3 |
IUPAC name | 3-[3-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]propyl]-5-(2-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol |
Molecular weight | 610.803 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50298794 (rac)-3-(3-(4-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-1-yl)propyl)-1-o-tolyl-2,3,4,5-tetrahydro-1Hbenzo[d]azepine-7,8-diol |
Inchi Key | ACWOUFNDQFUXQN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H46N6O3/c1-27-9-3-4-11-30(27)32-26-40(18-14-28-23-34(43)35(44)24-31(28)32)16-8-17-42-25-29(37-38-42)10-7-15-39-19-21-41(22-20-39)33-12-5-6-13-36(33)45-2/h3-6,9,11-13,23-25,32,43-44H,7-8,10,14-22,26H2,1-2H3 |
PubChem CID | 44537919 |
ChEMBL | CHEMBL574700 |
IUPHAR | N/A |
BindingDB | 50298794 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1999 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
2001 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
2000 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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