| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3309929
Max Phase: Preclinical
Molecular Formula: C16H14ClN
Molecular Weight: 255.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1ccc(C#Cc2ccccc2Cl)cc1
Standard InChI: InChI=1S/C16H14ClN/c1-18(2)15-11-8-13(9-12-15)7-10-14-5-3-4-6-16(14)17/h3-6,8-9,11-12H,1-2H3
Standard InChI Key: INOUEKQTMWVXDO-UHFFFAOYSA-N
Associated Targets(Human)
LS174T 446 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: 255.75 | Molecular Weight (Monoisotopic): 255.0815 | AlogP: 3.81 | #Rotatable Bonds: 1 |
| Polar Surface Area: 3.24 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.78 | CX LogP: 4.81 | CX LogD: 4.81 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.70 | Np Likeness Score: -1.36 |
References
| 1. Sviripa VM, Zhang W, Kril LM, Liu AX, Yuan Y, Zhan CG, Liu C, Watt DS.. (2014) Halogenated diarylacetylenes repress c-myc expression in cancer cells., 24 (15): [PMID:24930834] [10.1016/j.bmcl.2014.04.113] |
Source
Source(1):