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| Name | NSC409663 |
|---|---|
| Molecular formula | C35H41N5O5 |
| IUPAC name | N-(7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| Molecular weight | 611.743 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 3 |
| XlogP | 3.3 |
| Synonyms | D09NNH AC1L1F3H N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide CHEBI:91714 Nehydrin [ Show all ] |
| Inchi Key | DEQITUUQPICUMR-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41) |
| PubChem CID | 3065 |
| ChEMBL | N/A |
| IUPHAR | 278 |
| BindingDB | 32638 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 553533 | 5-hydroxytryptamine receptor 6 | P31388 | Htr6 | Rattus norvegicus (Rat) | 436 |
| 555694 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
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