Bioactive Compound Details
| BioID | bio3145 |
|---|---|
| Name | CIBINETIDE |
| ChEMBL ID | CHEMBL3545305 |
| Molecular Formula | C51H84N16O21 |
| Molecular Weight | 1257.32 |
| Molecular Weight (Monoisotopic) | 1256.5997 |
| Type | Protein |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ARA 290|ARA-290|ARA290|CIBINETIDA|CIBINETIDE|PH-BSP|PHBSP |
| Smiles | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
| Inchi | InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
| Inchi Key | WZTIQQBMSJTRBR-WYKNNRPVSA-N |
| Molecular Species | None |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | None |
| Records Key | ['CIBINETIDE', 'CIBINETIDE'] |
| Records Name | ['CIBINETIDE', 'CIBINETIDE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
