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Name | CHEMBL402258 |
---|---|
Molecular formula | C66H79N17O16 |
IUPAC name | (3R)-3-[2-[(6R,9S,12R,15S,18R,21S,24S)-24-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-12-(2-amino-2-oxoethyl)-6,15,18-tribenzyl-21-(3-carbamimidamidopropyl)-9-methyl-4,5,8,11,14,17,20,23,26-nonaoxo-1,3,7,10,13,16,19,22-octazacyclohexacosane-2-carbonyl]hydrazinyl]-4-(4-hydroxyphenyl)-2-oxobutanamide |
Molecular weight | 1366.46 |
Hydrogen bond acceptor | 19 |
Hydrogen bond donor | 19 |
XlogP | -0.8 |
Synonyms | BDBM50144878 |
Inchi Key | IACONDRWYPLPQZ-WKNXYHTMSA-N |
Inchi ID | InChI=1S/C66H79N17O16/c1-35-57(91)75-45(29-36-12-5-2-6-13-36)54(89)64(98)81-56(65(99)83-82-46(53(88)55(69)90)30-40-21-25-42(85)26-22-40)80-52(87)34-50(76-58(92)43(67)28-39-19-23-41(84)24-20-39)63(97)74-44(18-11-27-72-66(70)71)59(93)77-47(31-37-14-7-3-8-15-37)61(95)78-48(32-38-16-9-4-10-17-38)62(96)79-49(33-51(68)86)60(94)73-35/h2-10,12-17,19-26,35,43-50,56,82,84-85H,11,18,27-34,67H2,1H3,(H2,68,86)(H2,69,90)(H,73,94)(H,74,97)(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,96)(H,80,87)(H,81,98)(H,83,99)(H4,70,71,72)/t35-,43-,44-,45+,46+,47+,48-,49+,50-,56?/m0/s1 |
PubChem CID | 91932911 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50144878 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
128282 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
128280 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
128281 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
128279 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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