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| Name | CHEMBL409045 |
|---|---|
| Molecular formula | C48H63N9O7 |
| IUPAC name | (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-aminopentanoyl]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-methyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide |
| Molecular weight | 878.088 |
| Hydrogen bond acceptor | 8 |
| Hydrogen bond donor | 8 |
| XlogP | 3.6 |
| Synonyms | Ac-Phe-Orn-Pro-hle-Trp-Phe-NH2 BDBM50192047 |
| Inchi Key | CPEOAVXCFOOQLL-YPFSONEJSA-N |
| Inchi ID | InChI=1S/C48H63N9O7/c1-30(2)22-23-37(44(60)56-41(28-34-29-51-36-19-11-10-18-35(34)36)46(62)55-39(43(50)59)26-32-14-6-4-7-15-32)53-47(63)42-21-13-25-57(42)48(64)38(20-12-24-49)54-45(61)40(52-31(3)58)27-33-16-8-5-9-17-33/h4-11,14-19,29-30,37-42,51H,12-13,20-28,49H2,1-3H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,61)(H,55,62)(H,56,60)/t37-,38+,39-,40+,41-,42+/m1/s1 |
| PubChem CID | 44417117 |
| ChEMBL | CHEMBL409045 |
| IUPHAR | N/A |
| BindingDB | 50192047 |
| 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 |
|---|---|---|---|---|---|
| 47266 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
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