| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3209907
Max Phase: Preclinical
Molecular Formula: C16H13ClFN3O2
Molecular Weight: 333.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CC(=O)Nc1ccc(Cl)cc1)N/N=C\c1cccc(F)c1
Standard InChI: InChI=1S/C16H13ClFN3O2/c17-12-4-6-14(7-5-12)20-15(22)9-16(23)21-19-10-11-2-1-3-13(18)8-11/h1-8,10H,9H2,(H,20,22)(H,21,23)/b19-10-
Standard InChI Key: QZSRZRWREXJJRT-GRSHGNNSSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 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)
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: 333.75 | Molecular Weight (Monoisotopic): 333.0680 | AlogP: 2.96 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.76 | CX Basic pKa: 0.88 | CX LogP: 3.18 | CX LogD: 3.18 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.50 | Np Likeness Score: -2.24 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):