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Name | CHEMBL568836 |
---|---|
Molecular formula | C31H38FN9O5 |
IUPAC name | (2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide |
Molecular weight | 635.701 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 7 |
XlogP | -0.1 |
Synonyms | BDBM50301150 (S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutanamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide |
Inchi Key | GCGOAZRZURMILC-SDHSZQHLSA-N |
Inchi ID | InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1 |
PubChem CID | 45487296 |
ChEMBL | CHEMBL568836 |
IUPHAR | N/A |
BindingDB | 50301150 |
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 |
---|---|---|---|---|---|
92926 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
92925 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
92927 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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