| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3207638
Max Phase: Preclinical
Molecular Formula: C16H16N2O2
Molecular Weight: 268.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC(=O)O/N=C(\c1ccccc1)c1ccncc1
Standard InChI: InChI=1S/C16H16N2O2/c1-2-6-15(19)20-18-16(13-7-4-3-5-8-13)14-9-11-17-12-10-14/h3-5,7-12H,2,6H2,1H3/b18-16+
Standard InChI Key: WSFAFONVIRLAJO-FBMGVBCBSA-N
Associated Targets(Human)
Chromobox protein homolog 1 92434 Activities
DNA polymerase iota 116820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Heat shock factor protein 1 5445 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum 966862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 268.32 | Molecular Weight (Monoisotopic): 268.1212 | AlogP: 3.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 51.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.83 | CX LogP: 3.51 | CX LogD: 3.51 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.48 | Np Likeness Score: -0.58 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):