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Name | CHEMBL1276947 |
---|---|
Molecular formula | C25H27NO2 |
IUPAC name | (1R,5R)-3-[(3S)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid |
Molecular weight | 373.496 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | 3-((1S)-5'',11''-Dihydrospiro[cyclopentane-1,10''-dibenzo[a,d]-cyclohepten]-3-yl)-3-azabicyclo[3.1.0]hexane-1-carboxylic Acid BDBM50330752 |
Inchi Key | GPWMNUXSJDSCAV-NZICPMOKSA-N |
Inchi ID | InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1 |
PubChem CID | 49836528 |
ChEMBL | CHEMBL1276947 |
IUPHAR | N/A |
BindingDB | 50330752 |
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 |
---|---|---|---|---|---|
102329 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
102331 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
102330 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
102328 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
102332 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
102333 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
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