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Name | CHEMBL370261 |
---|---|
Molecular formula | C46H67N11O5 |
IUPAC name | N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]tetradecanamide |
Molecular weight | 854.114 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | 6.2 |
Synonyms | BDBM50166132 Tetradecanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide |
Inchi Key | DPZNJGKLXUVILJ-YOEXWAKESA-N |
Inchi ID | InChI=1S/C46H67N11O5/c1-2-3-4-5-6-7-8-9-10-11-15-24-41(58)54-40(28-34-30-50-31-53-34)45(62)57-39(26-32-19-13-12-14-20-32)44(61)55-37(23-18-25-51-46(48)49)43(60)56-38(42(47)59)27-33-29-52-36-22-17-16-21-35(33)36/h12-14,16-17,19-22,29-31,37-40,52H,2-11,15,18,23-28H2,1H3,(H2,47,59)(H,50,53)(H,54,58)(H,55,61)(H,56,60)(H,57,62)(H4,48,49,51)/t37-,38-,39+,40-/m0/s1 |
PubChem CID | 11239907 |
ChEMBL | CHEMBL370261 |
IUPHAR | N/A |
BindingDB | 50166132 |
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 |
---|---|---|---|---|---|
66077 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
66079 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
66076 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
66078 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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