| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4457456
Max Phase: Preclinical
Molecular Formula: C13H12O4
Molecular Weight: 232.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(C(C)=O)c(O)c2ccc(O)cc12
Standard InChI: InChI=1S/C13H12O4/c1-7(14)10-6-12(17-2)11-5-8(15)3-4-9(11)13(10)16/h3-6,15-16H,1-2H3
Standard InChI Key: ZLCNRSNXNMKVAC-UHFFFAOYSA-N
Associated Targets(Human)
Neutrophil 395 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 232.24 | Molecular Weight (Monoisotopic): 232.0736 | AlogP: 2.46 | #Rotatable Bonds: 2 |
| 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: 8.98 | CX Basic pKa: | CX LogP: 2.41 | CX LogD: 2.39 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.78 | Np Likeness Score: 0.87 |
References
| 1. Makar S, Saha T, Singh SK.. (2019) Naphthalene, a versatile platform in medicinal chemistry: Sky-high perspective., 161 [PMID:30366253] [10.1016/j.ejmech.2018.10.018] |
Source
Source(1):