| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PYRETHROSIN
ID: ALA517337
Max Phase: Preclinical
Molecular Formula: C17H22O5
Molecular Weight: 306.36
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Pyrethrosin
Synonyms from Alternative Forms(1):
Canonical SMILES: C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(C)=O)[C@H]12
Standard InChI: InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+/t12-,13+,14-,15+,17-/m1/s1
Standard InChI Key: JJMLQAVFDJXJAL-AWZCNKNJSA-N
Associated Targets(Human)
SK-MEL 619 Activities
Associated Targets(non-human)
Candida albicans 78123 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: 306.36 | Molecular Weight (Monoisotopic): 306.1467 | AlogP: 2.30 | #Rotatable Bonds: 1 |
| Polar Surface Area: 65.13 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.94 | CX LogD: 1.94 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.32 | Np Likeness Score: 3.66 |
References
| 1. Galal AM.. (2001) Microbial transformation of pyrethrosin., 64 (8): [PMID:11520238] [10.1021/np0100082] |
Source
Source(1):