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Name | CHEMBL190953 |
---|---|
Molecular formula | C44H65N13O8 |
IUPAC name | (2S)-2-acetamido-N-[2-[4-aminobutyl-[2-[[(2R)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide |
Molecular weight | 904.087 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | -0.7 |
Synonyms | BDBM50410239 |
Inchi Key | GJRWWAJUJBKGQU-QGBCWPEESA-N |
Inchi ID | InChI=1S/C44H65N13O8/c1-3-4-16-34(53-29(2)58)41(63)52-25-40(62)56(21-11-10-19-45)28-39(61)54-36(22-30-13-6-5-7-14-30)42(64)55-35(18-12-20-49-44(47)48)43(65)57(27-38(60)51-24-37(46)59)26-31-23-50-33-17-9-8-15-32(31)33/h5-9,13-15,17,23,34-36,50H,3-4,10-12,16,18-22,24-28,45H2,1-2H3,(H2,46,59)(H,51,60)(H,52,63)(H,53,58)(H,54,61)(H,55,64)(H4,47,48,49)/t34-,35-,36+/m0/s1 |
PubChem CID | 11251567 |
ChEMBL | CHEMBL190953 |
IUPHAR | N/A |
BindingDB | 50410239 |
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 |
---|---|---|---|---|---|
98196 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
98198 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
98197 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
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