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ID: ALA1522307
Max Phase: Preclinical
Molecular Formula: C17H12N2O
Molecular Weight: 260.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#CC1C=Cc2ccccc2N1C(=O)c1ccccc1
Standard InChI: InChI=1S/C17H12N2O/c18-12-15-11-10-13-6-4-5-9-16(13)19(15)17(20)14-7-2-1-3-8-14/h1-11,15H
Standard InChI Key: ISINJAULVPSFFZ-UHFFFAOYSA-N
Associated Targets(Human)
Plectin 458 Activities
DNA polymerase eta 21678 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 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 |
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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: 260.30 | Molecular Weight (Monoisotopic): 260.0950 | AlogP: 3.25 | #Rotatable Bonds: 1 |
| Polar Surface Area: 44.10 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.29 | CX Basic pKa: | CX LogP: 3.04 | CX LogD: 2.99 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.79 | Np Likeness Score: -0.40 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):