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Name | CHEMBL439560 |
---|---|
Molecular formula | C29H36ClF3N4O2 |
IUPAC name | 1-[(2R)-1-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pyrrolidin-2-one |
Molecular weight | 565.078 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | 1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifluoromethylphenyl]-piperazin-1-yl}-1-(4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one BDBM50214685 |
Inchi Key | GWQJQMUYAJRYAV-AZGAKELHSA-N |
Inchi ID | InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1 |
PubChem CID | 23661656 |
ChEMBL | CHEMBL439560 |
IUPHAR | N/A |
BindingDB | 50214685 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
107141 | Growth hormone secretagogue receptor type 1 | Q92847 | GHSR | Homo sapiens (Human) | 366 |
107144 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
107139 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
107140 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
107143 | Melanocortin receptor 4 | P70596 | Mc4r | Rattus norvegicus (Rat) | 332 |
107138 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
107142 | Melanocyte-stimulating hormone receptor | Q01726 | MC1R | Homo sapiens (Human) | 317 |
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