| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4283127
Max Phase: Preclinical
Molecular Formula: C58H98N2O48
Molecular Weight: 1591.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N[C@@H](CC(=O)N[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(=O)O
Standard InChI: InChI=1S/C58H98N2O48/c59-11(50(90)91)1-21(68)60-49-41(88)43(103-57-48(37(84)28(75)17(7-66)100-57)108-58-47(36(83)27(74)18(8-67)101-58)107-54-40(87)33(80)24(71)14(4-63)97-54)29(76)19(94-49)9-92-51-42(89)44(104-56-46(35(82)26(73)16(6-65)99-56)106-53-39(86)32(79)23(70)13(3-62)96-53)30(77)20(102-51)10-93-55-45(34(81)25(72)15(5-64)98-55)105-52-38(85)31(78)22(69)12(2-61)95-52/h11-20,22-49,51-58,61-67,69-89H,1-10,59H2,(H,60,68)(H,90,91)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,52+,53+,54+,55-,56+,57+,58+/m0/s1
Standard InChI Key: MYRBFIFEGZQBBO-KJLPRKOMSA-N
Associated Targets(Human)
CD209 antigen 101 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 1591.39 | Molecular Weight (Monoisotopic): 1590.5289 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Ng S, Bennett NJ, Schulze J, Gao N, Rademacher C, Derda R.. (2018) Genetically-encoded fragment-based discovery of glycopeptide ligands for DC-SIGN., 26 (19): [PMID:30344001] [10.1016/j.bmc.2018.08.036] |
Source
Source(1):