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Name | CHEMBL265413 |
---|---|
Molecular formula | C54H77N11O9 |
IUPAC name | 1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1024.28 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 3.8 |
Synonyms | BDBM50405767 |
Inchi Key | IFYWDMCNZLKIPX-XAJUAYCZSA-N |
Inchi ID | InChI=1S/C54H77N11O9/c1-4-57-51(73)45-12-8-18-65(45)52(74)40(11-7-17-58-53(55)56)61-47(69)41(19-31(2)3)62-49(71)43(24-36-29-59-39-10-6-5-9-38(36)39)64-48(70)42(23-32-13-15-37(67)16-14-32)63-50(72)44(30-66)60-46(68)28-54-25-33-20-34(26-54)22-35(21-33)27-54/h5-6,9-10,13-16,29,31,33-35,40-45,59,66-67H,4,7-8,11-12,17-28,30H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t33?,34?,35?,40-,41-,42-,43+,44-,45?,54?/m0/s1 |
PubChem CID | 44314937 |
ChEMBL | CHEMBL265413 |
IUPHAR | N/A |
BindingDB | 50405767 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
132353 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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