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Name | CHEMBL386525 |
---|---|
Molecular formula | C62H77N11O9 |
IUPAC name | 1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(3-naphthalen-1-ylpropanoylamino)-3-phenylmethoxypropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1120.37 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 5.9 |
Synonyms | BDBM50405766 |
Inchi Key | DQRRYRQAOSFVHU-HRIYKSKUSA-N |
Inchi ID | InChI=1S/C62H77N11O9/c1-4-65-60(80)54-24-14-32-73(54)61(81)49(23-13-31-66-62(63)64)69-56(76)50(33-39(2)3)70-58(78)52(35-44-36-67-48-22-11-10-21-47(44)48)72-57(77)51(34-40-25-28-45(74)29-26-40)71-59(79)53(38-82-37-41-15-6-5-7-16-41)68-55(75)30-27-43-19-12-18-42-17-8-9-20-46(42)43/h5-12,15-22,25-26,28-29,36,39,49-54,67,74H,4,13-14,23-24,27,30-35,37-38H2,1-3H3,(H,65,80)(H,68,75)(H,69,76)(H,70,78)(H,71,79)(H,72,77)(H4,63,64,66)/t49-,50-,51-,52+,53-,54?/m0/s1 |
PubChem CID | 44314898 |
ChEMBL | CHEMBL386525 |
IUPHAR | N/A |
BindingDB | 50405766 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
66569 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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