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Name | CHEMBL401349 |
---|---|
Molecular formula | C36H49N5O2S |
IUPAC name | 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one |
Molecular weight | 615.881 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.1 |
Synonyms | BDBM50225101 L022775 2-[1,1-Dimethyl-2-oxo-2-(7-azabicyclo[2.2.1]heptane-7-yl)ethyl]-4-[2-[4-(2-oxo-2-pyrrolizinoethyl)piperazino]ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole SCHEMBL4373554 1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one |
Inchi Key | BRRJNHJWPVIHFG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H49N5O2S/c1-24-19-25(2)21-26(20-24)33-29(11-14-38-15-17-39(18-16-38)23-32(42)40-12-5-6-13-40)30-22-31(44-34(30)37-33)36(3,4)35(43)41-27-7-8-28(41)10-9-27/h19-22,27-28,37H,5-18,23H2,1-4H3 |
PubChem CID | 44185958 |
ChEMBL | CHEMBL401349 |
IUPHAR | N/A |
BindingDB | 50225101 |
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 |
---|---|---|---|---|---|
31285 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
31286 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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