| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1834559
Max Phase: Preclinical
Molecular Formula: C18H15NO
Molecular Weight: 261.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C(=O)/C=C/c2ccccc2)c2ccccc21
Standard InChI: InChI=1S/C18H15NO/c1-19-13-16(15-9-5-6-10-17(15)19)18(20)12-11-14-7-3-2-4-8-14/h2-13H,1H3/b12-11+
Standard InChI Key: VOOOMMHNKOQVAH-VAWYXSNFSA-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: 261.32 | Molecular Weight (Monoisotopic): 261.1154 | AlogP: 4.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 22.00 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.21 | CX LogD: 4.21 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.51 | Np Likeness Score: -0.35 |
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):