| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA274744
Max Phase: Preclinical
Molecular Formula: C24H26O5
Molecular Weight: 394.47
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Rac-Acremine G
Synonyms from Alternative Forms(1):
Canonical SMILES: CC1=CC2c3cc(O)c(C)cc3OC3(C1)C(=O)C(C)=CC(=O)C23/C=C/C(C)(C)O
Standard InChI: InChI=1S/C24H26O5/c1-13-8-17-16-11-18(25)14(2)9-19(16)29-24(12-13)21(27)15(3)10-20(26)23(17,24)7-6-22(4,5)28/h6-11,17,25,28H,12H2,1-5H3/b7-6+
Standard InChI Key: ZJBCEAAFFNQWIJ-VOTSOKGWSA-N
Associated Targets(Human)
NCI-H460 60772 Activities
Associated Targets(non-human)
Plasmopara viticola 181 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 394.47 | Molecular Weight (Monoisotopic): 394.1780 | AlogP: 3.68 | #Rotatable Bonds: 2 |
| Polar Surface Area: 83.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.15 | CX Basic pKa: | CX LogP: 4.20 | CX LogD: 4.20 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.75 | Np Likeness Score: 2.69 |
References
| 1. Arnone A, Nasini G, Panzeri W, de Pava OV, Malpezzi L.. (2008) Acremine G, dimeric metabolite from cultures of Acremonium byssoides A20., 71 (1): [PMID:18154270] [10.1021/np070413e] |
Source
Source(1):