| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1589740
Max Phase: Preclinical
Molecular Formula: C19H12FNO
Molecular Weight: 289.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(F)cc1)n1c2ccccc2c2ccccc21
Standard InChI: InChI=1S/C19H12FNO/c20-14-11-9-13(10-12-14)19(22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H
Standard InChI Key: SNOQWPDDMJUOIS-UHFFFAOYSA-N
Associated Targets(non-human)
Streptokinase A 5805 Activities
Streptococcus 3973 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Properties
| Molecular Weight: 289.31 | Molecular Weight (Monoisotopic): 289.0903 | AlogP: 4.62 | #Rotatable Bonds: 1 |
| Polar Surface Area: 22.00 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.41 | CX LogD: 4.41 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.50 | Np Likeness Score: -0.87 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):