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Name | CHEMBL370780 |
---|---|
Molecular formula | C26H22BrNO5 |
IUPAC name | ethyl 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-triene-3-carboxylate |
Molecular weight | 508.368 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
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-triene-3-carboxylic acid ethyl ester BDBM50167765 |
Inchi Key | JMQMMIFWZQJNDI-KMEZTADASA-N |
Inchi ID | InChI=1S/C26H22BrNO5/c1-2-30-26(29)15-7-9-24-21(11-15)28(33-24)14-17-13-19-18-5-3-4-6-22(18)32-23-10-8-16(27)12-20(23)25(19)31-17/h3-12,17,19,25H,2,13-14H2,1H3/t17-,19-,25-/m0/s1 |
PubChem CID | 44402449 |
ChEMBL | CHEMBL370780 |
IUPHAR | N/A |
BindingDB | 50167765 |
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 |
---|---|---|---|---|---|
154644 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
154646 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
154645 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
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