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Name | CHEMBL275935 |
---|---|
Molecular formula | C48H71Cl2N3O13 |
IUPAC name | [(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-8-[(3R,4S,6R)-4-[cyclopentyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-15-[2-(3,4-dichlorophenyl)ethyl]-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl] (4S)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxylate |
Molecular weight | 969.004 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 1 |
XlogP | 8.2 |
Synonyms | BDBM50409918 |
Inchi Key | MASIMUDHAIYCMI-DEDQJDAQSA-N |
Inchi ID | InChI=1S/C48H71Cl2N3O13/c1-12-36-48(9)40(52(44(57)66-48)20-19-31-17-18-33(49)34(50)22-31)28(5)37(54)25(2)23-47(8,60-11)41(65-43-38(55)35(21-27(4)62-43)51(10)32-15-13-14-16-32)29(6)39(30(7)42(56)63-36)64-46(59)53-26(3)24-61-45(53)58/h17-18,22,25-30,32,35-36,38-41,43,55H,12-16,19-21,23-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,35+,36-,38-,39+,40-,41-,43?,47+,48-/m1/s1 |
PubChem CID | 44267887 |
ChEMBL | CHEMBL275935 |
IUPHAR | N/A |
BindingDB | 50409918 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
200978 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
200979 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
200980 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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