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Name | CHEMBL209754 |
---|---|
Molecular formula | C34H35F4N5 |
IUPAC name | 3-[4-[6-[2-(diethylamino)ethyl]-2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile |
Molecular weight | 589.683 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 7.1 |
Synonyms | BDBM50186835 4''-[6-(2-diethylamino-ethyl)-1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile |
Inchi Key | HTKIJSNZEHJCRA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H35F4N5/c1-3-42(4-2)16-17-43-14-12-32(13-15-43)22-33(32,26-10-8-24(9-11-26)25-7-5-6-23(18-25)21-39)31-40-29-19-27(34(36,37)38)28(35)20-30(29)41-31/h5-11,18-20H,3-4,12-17,22H2,1-2H3,(H,40,41) |
PubChem CID | 44413475 |
ChEMBL | CHEMBL209754 |
IUPHAR | N/A |
BindingDB | 50186835 |
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 |
---|---|---|---|---|---|
123561 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
123560 | Melanin-concentrating hormone receptor 2 | Q969V1 | MCHR2 | Homo sapiens (Human) | 340 |
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