| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1834561
Max Phase: Preclinical
Molecular Formula: C18H13Cl2NO
Molecular Weight: 330.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c2ccccc21
Standard InChI: InChI=1S/C18H13Cl2NO/c1-21-11-14(12-5-2-3-8-17(12)21)18(22)10-9-13-15(19)6-4-7-16(13)20/h2-11H,1H3/b10-9+
Standard InChI Key: XGGKJPWBVVFKPJ-MDZDMXLPSA-N
Associated Targets(Human)
RT-112 346 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: 330.21 | Molecular Weight (Monoisotopic): 329.0374 | AlogP: 5.38 | #Rotatable Bonds: 3 |
| Polar Surface Area: 22.00 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.42 | CX LogD: 5.42 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.47 | Np Likeness Score: -0.77 |
References
| 1. Martel-Frachet V, Kadri M, Boumendjel A, Ronot X.. (2011) Structural requirement of arylindolylpropenones as anti-bladder carcinoma cells agents., 19 (20): [PMID:21908193] [10.1016/j.bmc.2011.08.015] |
Source
Source(1):