| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1834571
Max Phase: Preclinical
Molecular Formula: C21H18N2O
Molecular Weight: 314.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1ccc2cc(/C=C/C(=O)c3cn(C)c4ccccc34)ccc21
Standard InChI: InChI=1S/C21H18N2O/c1-22-12-11-16-13-15(7-9-19(16)22)8-10-21(24)18-14-23(2)20-6-4-3-5-17(18)20/h3-14H,1-2H3/b10-8+
Standard InChI Key: FSSDHVCZPYWYEQ-CSKARUKUSA-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: 314.39 | Molecular Weight (Monoisotopic): 314.1419 | AlogP: 4.57 | #Rotatable Bonds: 3 |
| Polar Surface Area: 26.93 | Molecular Species: | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.54 | CX LogD: 4.54 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.40 | Np Likeness Score: -0.48 |
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):