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Name | CHEMBL415109 |
---|---|
Molecular formula | C59H74N10O9 |
IUPAC name | 1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylmethoxypropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1067.3 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | 5.5 |
Synonyms | BDBM50405784 |
Inchi Key | XEEAYLMXOWIVKA-AWKBQQJLSA-N |
Inchi ID | InChI=1S/C59H74N10O9/c1-4-62-57(76)51-25-15-31-69(51)58(77)46(24-14-30-63-59(60)61)65-53(72)47(32-38(2)3)66-54(73)48(33-39-16-7-5-8-17-39)67-55(74)49(34-40-26-28-44(70)29-27-40)68-56(75)50(37-78-36-41-18-9-6-10-19-41)64-52(71)35-43-22-13-21-42-20-11-12-23-45(42)43/h5-13,16-23,26-29,38,46-51,70H,4,14-15,24-25,30-37H2,1-3H3,(H,62,76)(H,64,71)(H,65,72)(H,66,73)(H,67,74)(H,68,75)(H4,60,61,63)/t46-,47-,48+,49-,50-,51?/m0/s1 |
PubChem CID | 44314845 |
ChEMBL | CHEMBL415109 |
IUPHAR | N/A |
BindingDB | 50405784 |
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 |
---|---|---|---|---|---|
389540 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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