| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5273529
Max Phase: Preclinical
Molecular Formula: C19H24O3
Molecular Weight: 300.40
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/C=C/C(C)=C/c1ccc2c(c1)CCC(C)(C)O2
Standard InChI: InChI=1S/C19H24O3/c1-5-21-18(20)9-6-14(2)12-15-7-8-17-16(13-15)10-11-19(3,4)22-17/h6-9,12-13H,5,10-11H2,1-4H3/b9-6+,14-12+
Standard InChI Key: MFFZYNFONVFRDW-TZOAMJEDSA-N
Associated Targets(non-human)
Quinolone resistance protein norA 2171 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 300.40 | Molecular Weight (Monoisotopic): 300.1725 | AlogP: 4.31 | #Rotatable Bonds: 4 |
| Polar Surface Area: 35.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.67 | CX LogD: 4.67 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.47 | Np Likeness Score: 0.83 |
References
| 1. Kumar G, Kiran Tudu A.. (2023) Tackling multidrug-resistant Staphylococcus aureus by natural products and their analogues acting as NorA efflux pump inhibitors., 80 [PMID:36731248] [10.1016/j.bmc.2023.117187] |
Source
Source(1):