| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MYXOTYROSIDE B
ID: ALA562367
Max Phase: Preclinical
Molecular Formula: C30H47NO6
Molecular Weight: 517.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC/C=C\C(=O)N/C=C\c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1
Standard InChI: InChI=1S/C30H47NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(32)31-22-21-24-17-19-25(20-18-24)37-30-29(35)28(34)27(33)23(2)36-30/h15-23,27-30,33-35H,3-14H2,1-2H3,(H,31,32)/b16-15-,22-21-/t23-,27-,28+,29+,30-/m0/s1
Standard InChI Key: GGZPHYAJMQANDM-JNUMMFPKSA-N
Associated Targets(non-human)
Escherichia coli 133304 Activities
Pseudomonas putida 467 Activities
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Chromobacterium violaceum 349 Activities
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Myxococcus xanthus DK 1622 6 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 517.71 | Molecular Weight (Monoisotopic): 517.3403 | AlogP: 5.24 | #Rotatable Bonds: 17 |
| Polar Surface Area: 108.25 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 12.21 | CX Basic pKa: | CX LogP: 6.25 | CX LogD: 6.25 |
| Aromatic Rings: 1 | Heavy Atoms: 37 | QED Weighted: 0.17 | Np Likeness Score: 1.45 |
References
| 1. Ohlendorf B, Lorenzen W, Kehraus S, Krick A, Bode HB, König GM.. (2009) Myxotyrosides A and B, Unusual rhamnosides from Myxococcus sp., 72 (1): [PMID:19113894] [10.1021/np8005875] |
Source
Source(1):