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Name | Rutaecarpine |
---|---|
Molecular formula | C18H13N3O |
IUPAC name | 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one |
Molecular weight | 287.322 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one Rutaecarpine,(S) 8XZV289PRY SR-01000076104-2 BBL028393 [ Show all ] |
Inchi Key | ACVGWSKVRYFWRP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2 |
PubChem CID | 65752 |
ChEMBL | CHEMBL85139 |
IUPHAR | N/A |
BindingDB | 50131046 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1969 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
1971 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
463177 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
1970 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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