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Name | CHEMBL273440 |
---|---|
Molecular formula | C46H69Cl2N3O13 |
IUPAC name | [(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-15-[2-(3,4-dichlorophenyl)ethyl]-2-ethyl-8-[(3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-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 | 942.966 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 1 |
XlogP | 7.8 |
Synonyms | BDBM50409920 |
Inchi Key | NMMJQRFUTXRKRS-KZJWYMMGSA-N |
Inchi ID | InChI=1S/C46H69Cl2N3O13/c1-14-34-46(11)38(50(42(55)64-46)18-17-30-15-16-31(47)32(48)20-30)27(7)35(52)24(4)21-45(10,58-13)39(63-41-36(53)33(19-26(6)60-41)49(12)23(2)3)28(8)37(29(9)40(54)61-34)62-44(57)51-25(5)22-59-43(51)56/h15-16,20,23-29,33-34,36-39,41,53H,14,17-19,21-22H2,1-13H3/t24-,25+,26-,27+,28+,29-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1 |
PubChem CID | 44267812 |
ChEMBL | CHEMBL273440 |
IUPHAR | N/A |
BindingDB | 50409920 |
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 |
---|---|---|---|---|---|
227035 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
227036 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
227037 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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