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Name | CHEMBL405264 |
---|---|
Molecular formula | C82H100N12O13 |
IUPAC name | (2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[(4-methylphenyl)methylamino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1461.77 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 8.2 |
Synonyms | N/A |
Inchi Key | MHDDJPLDGDSZOQ-AVXHYPCLSA-N |
Inchi ID | InChI=1S/C82H100N12O13/c1-51(2)42-70(82(107)94-41-19-29-72(94)81(106)85-53(4)73(83)98)92-78(103)67(45-56-22-11-7-12-23-56)88-74(99)64(28-17-18-40-84-49-59-32-30-52(3)31-33-59)87-76(101)69(47-58-35-38-63(97)39-36-58)91-80(105)71(50-95)93-79(104)68(46-57-24-13-8-14-25-57)90-77(102)66(44-55-20-9-6-10-21-55)89-75(100)65(86-54(5)96)48-60-34-37-61-26-15-16-27-62(61)43-60/h6-16,20-27,30-39,43,51,53,64-72,84,95,97H,17-19,28-29,40-42,44-50H2,1-5H3,(H2,83,98)(H,85,106)(H,86,96)(H,87,101)(H,88,99)(H,89,100)(H,90,102)(H,91,105)(H,92,103)(H,93,104)/t53-,64-,65-,66-,67-,68-,69-,70-,71-,72+/m0/s1 |
PubChem CID | 44376792 |
ChEMBL | CHEMBL405264 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
205302 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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