| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4436113
Max Phase: Preclinical
Molecular Formula: C34H55N5O23
Molecular Weight: 901.83
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](OCCCCCCN=[N+]=[N-])[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C34H55N5O23/c1-11(42)37-15-24(17(44)13(9-40)56-31(15)55-8-6-4-3-5-7-36-39-35)58-34-23(50)21(48)26(28(62-34)30(53)54)60-32-16(38-12(2)43)25(18(45)14(10-41)57-32)59-33-22(49)19(46)20(47)27(61-33)29(51)52/h13-28,31-34,40-41,44-50H,3-10H2,1-2H3,(H,37,42)(H,38,43)(H,51,52)(H,53,54)/t13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
Standard InChI Key: XESOTVKFUDVKMX-YZFKMWOBSA-N
Associated Targets(Human)
MDK Tchem Midkine (16 Activities)
BDNF Tchem Brain-derived neurotrophic factor (6 Activities)
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PTN Tchem Pleiotrophin (6 Activities)
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FGF1 Tchem Acidic fibroblast growth factor (146 Activities)
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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 |
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Properties
| Molecular Weight: 901.83 | Molecular Weight (Monoisotopic): 901.3288 | AlogP: -6.38 | #Rotatable Bonds: 20 |
| Polar Surface Area: 437.47 | Molecular Species: ACID | HBA: 22 | HBD: 13 |
| #RO5 Violations: 3 | HBA (Lipinski): 28 | HBD (Lipinski): 13 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: -10.20 | CX Basic pKa: | CX LogP: -5.94 | CX LogD: -12.96 |
| Aromatic Rings: 0 | Heavy Atoms: 62 | QED Weighted: 0.02 | Np Likeness Score: 0.93 |
References
| 1. Yao W, Chen M, Dou X, Jin H, Zhang X, Zhu Y, Sha M, Liu Z, Meng X, Zhang L, Zhu S, Li Z.. (2019) Unravel a neuroactive sHA sulfation pattern with neurogenesis activity by a library of defined oligosaccharides., 163 [PMID:30557831] [10.1016/j.ejmech.2018.12.004] |
Source
Source(1):