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| Name | CHEMBL267491 |
|---|---|
| Molecular formula | C41H61N11O7 |
| IUPAC name | (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]propanamide |
| Molecular weight | 820.009 |
| Hydrogen bond acceptor | 8 |
| Hydrogen bond donor | 9 |
| XlogP | 1.7 |
| Synonyms | Ac-Ala-[Orn-Pro-cha-Trp-Arg] BDBM50192048 |
| Inchi Key | DJQYSPMWBMYXMM-QAACDOCTSA-N |
| Inchi ID | InChI=1S/C41H61N11O7/c1-24(47-25(2)53)35(54)49-31-16-9-18-44-36(55)30(15-8-19-45-41(42)43)48-38(57)33(22-27-23-46-29-14-7-6-13-28(27)29)50-37(56)32(21-26-11-4-3-5-12-26)51-39(58)34-17-10-20-52(34)40(31)59/h6-7,13-14,23-24,26,30-34,46H,3-5,8-12,15-22H2,1-2H3,(H,44,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)(H,51,58)(H4,42,43,45)/t24-,30-,31-,32+,33-,34-/m0/s1 |
| PubChem CID | 44417199 |
| ChEMBL | CHEMBL267491 |
| IUPHAR | N/A |
| BindingDB | 50192048 |
| 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 |
|---|---|---|---|---|---|
| 61746 | C5a anaphylatoxin chemotactic receptor 1 | P21730 | C5AR1 | Homo sapiens (Human) | 350 |
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