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Name | CHEMBL271586 |
---|---|
Molecular formula | C46H59N11O7 |
IUPAC name | 2-[(2S,5R,8S,11S)-2,5-dibenzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,18,23-hexaoxo-1,4,7,10,13,17-hexazacyclotricos-13-yl]acetamide |
Molecular weight | 878.048 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 9 |
XlogP | 1.4 |
Synonyms | BDBM50374672 |
Inchi Key | FTHTUSUQUUNCDD-DYLMPHRMSA-N |
Inchi ID | InChI=1S/C46H59N11O7/c47-39(58)29-57-24-12-23-50-40(59)20-9-10-21-41(60)53-36(25-30-13-3-1-4-14-30)43(62)55-37(26-31-15-5-2-6-16-31)44(63)54-35(19-11-22-51-46(48)49)42(61)56-38(45(57)64)27-32-28-52-34-18-8-7-17-33(32)34/h1-8,13-18,28,35-38,52H,9-12,19-27,29H2,(H2,47,58)(H,50,59)(H,53,60)(H,54,63)(H,55,62)(H,56,61)(H4,48,49,51)/t35-,36-,37+,38-/m0/s1 |
PubChem CID | 44457067 |
ChEMBL | CHEMBL271586 |
IUPHAR | N/A |
BindingDB | 50374672 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
86763 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
86759 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
86762 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
86760 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
86761 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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