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Name | CHEMBL370607 |
---|---|
Molecular formula | C23H19BrN2O3 |
IUPAC name | 8-[[(2S,4S,6S)-17-bromo-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-trien-3-amine |
Molecular weight | 451.32 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | 8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylamine BDBM50167769 |
Inchi Key | RBZVBPKXRQQXIX-YGJVYZRNSA-N |
Inchi ID | InChI=1S/C23H19BrN2O3/c24-13-5-7-21-18(9-13)23-17(16-3-1-2-4-20(16)28-21)11-15(27-23)12-26-19-10-14(25)6-8-22(19)29-26/h1-10,15,17,23H,11-12,25H2/t15-,17-,23-/m0/s1 |
PubChem CID | 44402349 |
ChEMBL | CHEMBL370607 |
IUPHAR | N/A |
BindingDB | 50167769 |
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 |
---|---|---|---|---|---|
292563 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
292564 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
292565 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
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