| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270746
Max Phase: Preclinical
Molecular Formula: C20H25NO2
Molecular Weight: 311.43
Associated Items:
Representations
Canonical SMILES: CC(/C=C/C(=O)N1CCCC1)=C\c1ccc2c(c1)CCC(C)O2
Standard InChI: InChI=1S/C20H25NO2/c1-15(5-10-20(22)21-11-3-4-12-21)13-17-7-9-19-18(14-17)8-6-16(2)23-19/h5,7,9-10,13-14,16H,3-4,6,8,11-12H2,1-2H3/b10-5+,15-13+
Standard InChI Key: SUIMYKUDIWTVKZ-JHVODGNPSA-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: 311.43 | Molecular Weight (Monoisotopic): 311.1885 | AlogP: 3.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.70 | CX LogD: 3.70 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.62 | Np Likeness Score: 0.31 |
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):