| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA465437
Max Phase: Preclinical
Molecular Formula: C15H22O4
Molecular Weight: 266.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=CC[C@@H](O)[C@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3[C@H](O)[C@@H]12
Standard InChI: InChI=1S/C15H22O4/c1-7-4-5-10(16)15(3)6-9-11(13(17)12(7)15)8(2)14(18)19-9/h4,8-13,16-17H,5-6H2,1-3H3/t8-,9+,10-,11-,12-,13+,15+/m1/s1
Standard InChI Key: WZFFAXUOOLSXQK-XKKYHAADSA-N
Associated Targets(Human)
SK-MEL 619 Activities
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: 266.34 | Molecular Weight (Monoisotopic): 266.1518 | AlogP: 1.26 | #Rotatable Bonds: 0 |
| Polar Surface Area: 66.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.66 | CX LogD: 0.66 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.51 | Np Likeness Score: 3.46 |
References
| 1. Galal AM.. (2001) Microbial transformation of pyrethrosin., 64 (8): [PMID:11520238] [10.1021/np0100082] |
Source
Source(1):