| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4543032
Max Phase: Preclinical
Molecular Formula: C34H50O5
Molecular Weight: 538.77
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCCCCC[C@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O
Standard InChI: InChI=1S/C34H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(2)32(36)30-31-28-24-38-26(3)22-27(28)23-29(35)34(31,4)39-33(30)37/h22-25H,5-21H2,1-4H3/t25-,34-/m0/s1
Standard InChI Key: RPOCDBVFURSTRO-XDCSYDRFSA-N
Associated Targets(non-human)
Brevibacillus brevis 46 Activities
Bacillus spizizenii 1898 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: 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: 538.77 | Molecular Weight (Monoisotopic): 538.3658 | AlogP: 8.78 | #Rotatable Bonds: 19 |
| Polar Surface Area: 69.67 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 9.50 | CX LogD: 9.50 |
| Aromatic Rings: 0 | Heavy Atoms: 39 | QED Weighted: 0.09 | Np Likeness Score: 1.69 |
References
| 1. Wang WX, Kusari S, Laatsch H, Golz C, Kusari P, Strohmann C, Kayser O, Spiteller M.. (2016) Antibacterial Azaphilones from an Endophytic Fungus, Colletotrichum sp. BS4., 79 (4): [PMID:26905687] [10.1021/acs.jnatprod.5b00436] |
Source
Source(1):