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Name | CHEMBL380509 |
---|---|
Molecular formula | C28H33F5N4O |
IUPAC name | 1-[(1S,2R,5S)-5-(4-fluorophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[3-(4-methylpiperazin-1-yl)propyl]urea |
Molecular weight | 536.591 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50184925 N-[trans-5-(4-fluorophenyl)bicyclo[3.1.0]hex-2-yl]-N''-[4-fluoro-3-(trifluoromethyl)phenyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-urea |
Inchi Key | BDOAKUCQOMBQGQ-DFZDUAMZSA-N |
Inchi ID | InChI=1S/C28H33F5N4O/c1-35-13-15-36(16-14-35)11-2-12-37(26(38)34-21-7-8-24(30)22(17-21)28(31,32)33)25-9-10-27(18-23(25)27)19-3-5-20(29)6-4-19/h3-8,17,23,25H,2,9-16,18H2,1H3,(H,34,38)/t23-,25-,27-/m1/s1 |
PubChem CID | 11519451 |
ChEMBL | CHEMBL380509 |
IUPHAR | N/A |
BindingDB | 50184925 |
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 |
---|---|---|---|---|---|
21109 | Melanin-concentrating hormone receptor 1 | Q8JZL2 | Mchr1 | Mus musculus (Mouse) | 353 |
21110 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
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