| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA150388
Max Phase: Preclinical
Molecular Formula: C13H8Cl4N2
Molecular Weight: 334.03
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl/C(=N\Nc1ccc(Cl)c(Cl)c1Cl)c1ccccc1
Standard InChI: InChI=1S/C13H8Cl4N2/c14-9-6-7-10(12(16)11(9)15)18-19-13(17)8-4-2-1-3-5-8/h1-7,18H/b19-13-
Standard InChI Key: YAWCRKNAAKYGLX-UYRXBGFRSA-N
Associated Targets(non-human)
Ovis aries 854 Activities
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: 334.03 | Molecular Weight (Monoisotopic): 331.9442 | AlogP: 5.66 | #Rotatable Bonds: 3 |
| Polar Surface Area: 24.39 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.51 | CX Basic pKa: 1.38 | CX LogP: 6.09 | CX LogD: 6.09 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.44 | Np Likeness Score: -1.04 |
References
| 1. Rector DL, Folz SD, Conklin RD, Nowakowski LH, Kaugars G.. (1981) Structure--activity relationships in a broad-spectrum anthelmintic series. Acid chloride phenylhydrazones. 1. Aryl substitutions and chloride variations., 24 (5): [PMID:7241511] [10.1021/jm00137a011] |
Source
Source(1):