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Fuligopyrone B
ID: ALA5269495
Chembl Id: CHEMBL5269495
Max Phase: Preclinical
Molecular Formula: C18H16ClNO5
Molecular Weight: 361.78
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(/C=C/C=C/c1ccc(O)cc1)NCCc1cc(O)c(Cl)c(=O)o1
Standard InChI: InChI=1S/C18H16ClNO5/c19-17-15(22)11-14(25-18(17)24)9-10-20-16(23)4-2-1-3-12-5-7-13(21)8-6-12/h1-8,11,21-22H,9-10H2,(H,20,23)/b3-1+,4-2+
Standard InChI Key: HNKYLQFMOZTFAM-ZPUQHVIOSA-N
Alternative Forms
Associated Targets(non-human)
Bacillus subtilis (32866 Activities)
Staphylococcus aureus (210822 Activities)
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Candida albicans (78123 Activities)
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Saccharomyces cerevisiae (19171 Activities)
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Eragrostis cilianensis (4 Activities)
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Tritrichomonas foetus (16 Activities)
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
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Calculated Properties
| Molecular Weight: 361.78 | Molecular Weight (Monoisotopic): 361.0717 | AlogP: 2.63 | #Rotatable Bonds: 6 |
| Polar Surface Area: 99.77 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.43 | CX Basic pKa: | CX LogP: 2.52 | CX LogD: 1.51 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: 0.63 |
References
| 1. Minns SA, Bowles S, Lacey E, Kalaitzis JA, Vuong D, Butler MS, Piggott AM.. (2023) Fuligopyrones from the Fruiting Bodies of Myxomycete Fuligo septica Offer Short-Term Protection from Abiotic Stress Induced by UV Radiation., 86 (3): [PMID:36655352] [10.1021/acs.jnatprod.2c00989] |
Source
Source(1):