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Name | CHEMBL405174 |
---|---|
Molecular formula | C39H43N9O5 |
IUPAC name | 3-acetamido-N-[(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]naphthalene-2-carboxamide |
Molecular weight | 717.831 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 8 |
XlogP | 3.1 |
Synonyms | BDBM50114745 1N-{3-[1-[4-amino(imino)methylamino-1-[1-carbamoyl-2-(1H-3-indolyl)-(1S)-ethylcarbamoyl]-(1S)-butylcarbamoyl]-2-phenyl-(1R)-ethylcarbamoyl]-2-naphthyl}acetamide |
Inchi Key | HQOYMPPRYNULSG-FZCBKRAZSA-N |
Inchi ID | InChI=1S/C39H43N9O5/c1-23(49)45-32-20-26-13-6-5-12-25(26)19-29(32)36(51)48-34(18-24-10-3-2-4-11-24)38(53)46-31(16-9-17-43-39(41)42)37(52)47-33(35(40)50)21-27-22-44-30-15-8-7-14-28(27)30/h2-8,10-15,19-20,22,31,33-34,44H,9,16-18,21H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,41,42,43)/t31-,33-,34+/m0/s1 |
PubChem CID | 10101361 |
ChEMBL | CHEMBL405174 |
IUPHAR | N/A |
BindingDB | 50114745 |
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 |
---|---|---|---|---|---|
121586 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
121587 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
121589 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
121588 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
121585 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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