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| Name | CHEMBL277452 |
|---|---|
| Molecular formula | C34H40N6O2 |
| IUPAC name | 3-[4-[4-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]butylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide |
| Molecular weight | 564.734 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 6 |
| XlogP | 3.6 |
| Synonyms | BDBM50285312 3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]butylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide |
| Inchi Key | COSYVLIRDFEWDN-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42) |
| PubChem CID | 44458045 |
| ChEMBL | CHEMBL277452 |
| IUPHAR | N/A |
| BindingDB | 50285312 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 46985 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
| 46983 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
| 46984 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
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