| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3596583
Max Phase: Preclinical
Molecular Formula: C24H32O4
Molecular Weight: 384.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC/C=C1\OC(=O)C2CC3CCC12C1(OC(=O)C2=C1CCCC2)C3CCC
Standard InChI: InChI=1S/C24H32O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h11,15,17,19H,3-10,12-14H2,1-2H3/b20-11-
Standard InChI Key: GHMVYCUZBHWCDF-JAIQZWGSSA-N
Associated Targets(Human)
P-glycoprotein 1 14716 Activities
Associated Targets(non-human)
Quinolone resistance protein norA 2171 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Fluoroquinolone resistance protein 28 Activities
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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 |
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Properties
| Molecular Weight: 384.52 | Molecular Weight (Monoisotopic): 384.2301 | AlogP: 5.23 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.25 | CX LogD: 5.25 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.62 | Np Likeness Score: 2.38 |
References
| 1. Joshi P, Singh S, Wani A, Sharma S, Jain SK, Singh B, Gupta BD, Satti NK, Koul S, Khan IA, Kumar A, Bharate SB, Vishwakarma RA. (2014) Osthol and curcumin as inhibitors of human Pgp and multidrug efflux pumps of Staphylococcus aureus: reversing the resistance against frontline antibacterial drugs, 5 (10): [10.1039/C4MD00196F] |
Source
Source(1):