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Name | Conessine analogue, 12d |
---|---|
Molecular formula | C31H41N3O |
IUPAC name | 4-cyano-N-methyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]benzamide |
Molecular weight | 471.689 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.7 |
Synonyms | 4-cyano-N-methyl-N-[(1R,2S,5S,6S,9R,12S,13R,16S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-yl]benzamide CHEMBL510426 BDBM27198 |
Inchi Key | BGHMFFCWINSZMO-YTLNYRDXSA-N |
Inchi ID | InChI=1S/C31H41N3O/c1-20-26-11-12-28-25-10-9-23-17-24(34(4)29(35)22-7-5-21(18-32)6-8-22)13-15-30(23,2)27(25)14-16-31(26,28)19-33(20)3/h5-9,20,24-28H,10-17,19H2,1-4H3/t20-,24-,25+,26+,27-,28-,30-,31-/m0/s1 |
PubChem CID | 25053285 |
ChEMBL | CHEMBL510426 |
IUPHAR | N/A |
BindingDB | 27198 |
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 |
---|---|---|---|---|---|
23009 | Histamine H3 receptor | Q9Y5N1 | HRH3 | Homo sapiens (Human) | 445 |
23010 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
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