| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4553596
Max Phase: Preclinical
Molecular Formula: C18H15NO2
Molecular Weight: 277.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=O)c1cccc2ccccc12
Standard InChI: InChI=1S/C18H15NO2/c1-21-17-12-5-4-11-16(17)19-18(20)15-10-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3,(H,19,20)
Standard InChI Key: XBOVLNKHWDBKQC-UHFFFAOYSA-N
Associated Targets(non-human)
Mycobacterium avium 4587 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: 277.32 | Molecular Weight (Monoisotopic): 277.1103 | AlogP: 4.10 | #Rotatable Bonds: 3 |
| Polar Surface Area: 38.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.90 | CX LogD: 3.90 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.78 | Np Likeness Score: -1.19 |
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):