| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3828179
Max Phase: Preclinical
Molecular Formula: C10H4ClF3O3
Molecular Weight: 264.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1cc(C(F)(F)F)c2ccc(O)c(Cl)c2o1
Standard InChI: InChI=1S/C10H4ClF3O3/c11-8-6(15)2-1-4-5(10(12,13)14)3-7(16)17-9(4)8/h1-3,15H
Standard InChI Key: XWGOHJMJWQPNRR-UHFFFAOYSA-N
Associated Targets(Human)
Casein kinase II 1406 Activities
A549 127892 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 264.59 | Molecular Weight (Monoisotopic): 263.9801 | AlogP: 3.17 | #Rotatable Bonds: 0 |
| Polar Surface Area: 50.44 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.08 | CX Basic pKa: | CX LogP: 2.75 | CX LogD: 1.47 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.74 | Np Likeness Score: -0.05 |
References
| 1. Dandriyal J, Singla R, Kumar M, Jaitak V.. (2016) Recent developments of C-4 substituted coumarin derivatives as anticancer agents., 119 [PMID:27155469] [10.1016/j.ejmech.2016.03.087] |
Source
Source(1):