| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1332386
Max Phase: Preclinical
Molecular Formula: C11H10N2O2
Molecular Weight: 202.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [O-][n+]1c2c([n+]([O-])c3ccccc31)CCC2
Standard InChI: InChI=1S/C11H10N2O2/c14-12-8-4-1-2-5-9(8)13(15)11-7-3-6-10(11)12/h1-2,4-5H,3,6-7H2
Standard InChI Key: ZOQNRQZXPOIANN-UHFFFAOYSA-N
Associated Targets(Human)
Troponin, cardiac muscle 276 Activities
Chromobox protein homolog 1 92434 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DNA polymerase eta 21678 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Muscleblind-like protein 1 34431 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
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: 202.21 | Molecular Weight (Monoisotopic): 202.0742 | AlogP: 0.60 | #Rotatable Bonds: 0 |
| Polar Surface Area: 53.88 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -3.62 | CX LogD: -3.62 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.46 | Np Likeness Score: -0.09 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):