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Name | CHEMBL373174 |
---|---|
Molecular formula | C24H20BrNO3 |
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]-3-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-triene |
Molecular weight | 450.332 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
Synonyms | BDBM50167753 8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-3-methyl-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene |
Inchi Key | MHHXJUJWDGPAEH-KEWLPNKHSA-N |
Inchi ID | InChI=1S/C24H20BrNO3/c1-14-6-8-23-20(10-14)26(29-23)13-16-12-18-17-4-2-3-5-21(17)28-22-9-7-15(25)11-19(22)24(18)27-16/h2-11,16,18,24H,12-13H2,1H3/t16-,18-,24-/m0/s1 |
PubChem CID | 44402676 |
ChEMBL | CHEMBL373174 |
IUPHAR | N/A |
BindingDB | 50167753 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
205472 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
205471 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
205473 | Nociceptin receptor | P35370 | Oprl1 | Rattus norvegicus (Rat) | 367 |
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