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Name | CHEMBL165456 |
---|---|
Molecular formula | C39H47N5O2 |
IUPAC name | 5-[2-[[(2S)-2-[5-[1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]amino]ethyl]-1,3-dihydrobenzimidazol-2-one |
Molecular weight | 617.838 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 4 |
XlogP | 6.8 |
Synonyms | BDBM50110593 5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-1,3-dihydro-benzoimidazol-2-one |
Inchi Key | BJVCQEYCSAMXNW-WUXOVTSDSA-N |
Inchi ID | InChI=1S/C39H47N5O2/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-40-15-14-26-8-12-33-34(19-26)43-38(46)42-33)31-20-29(9-13-32(31)41-36)39(4,5)37(45)44-22-27-6-10-30(44)11-7-27/h8-9,12-13,16-20,25,27,30,40-41H,6-7,10-11,14-15,21-22H2,1-5H3,(H2,42,43,46)/t25-,27?,30?/m1/s1 |
PubChem CID | 44380512 |
ChEMBL | CHEMBL165456 |
IUPHAR | N/A |
BindingDB | 50110593 |
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 |
---|---|---|---|---|---|
25485 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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