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Name | CHEMBL434747 |
---|---|
Molecular formula | C30H40ClFN4O2 |
IUPAC name | 3-(3-chloro-4-fluorophenyl)-1-[2-[di(propan-2-yl)amino]ethyl]-1-[(3R,6S)-6-[3-[(E)-methoxyiminomethyl]phenyl]-3-bicyclo[4.1.0]heptanyl]urea |
Molecular weight | 543.124 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.8 |
Synonyms | BDBM50215614 3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((E)-(methoxyimino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea |
Inchi Key | AMRCVMXHDLSWKR-MBVDHQLWSA-N |
Inchi ID | InChI=1S/C30H40ClFN4O2/c1-20(2)35(21(3)4)13-14-36(29(37)34-25-9-10-28(32)27(31)17-25)26-11-12-30(18-24(30)16-26)23-8-6-7-22(15-23)19-33-38-5/h6-10,15,17,19-21,24,26H,11-14,16,18H2,1-5H3,(H,34,37)/b33-19+/t24?,26-,30-/m1/s1 |
PubChem CID | 44424206 |
ChEMBL | CHEMBL434747 |
IUPHAR | N/A |
BindingDB | 50215614 |
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 |
---|---|---|---|---|---|
9174 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
9175 | Melanin-concentrating hormone receptor 1 | Q8JZL2 | Mchr1 | Mus musculus (Mouse) | 353 |
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