| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1834563
Max Phase: Preclinical
Molecular Formula: C23H25N3O
Molecular Weight: 359.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2ccccc2/C=C/C(=O)c2cn(C)c3ccccc23)CC1
Standard InChI: InChI=1S/C23H25N3O/c1-24-13-15-26(16-14-24)21-9-5-3-7-18(21)11-12-23(27)20-17-25(2)22-10-6-4-8-19(20)22/h3-12,17H,13-16H2,1-2H3/b12-11+
Standard InChI Key: PDSODPRWKCNFBT-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: 359.47 | Molecular Weight (Monoisotopic): 359.1998 | AlogP: 3.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 28.48 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.10 | CX LogP: 4.17 | CX LogD: 3.99 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.52 | Np Likeness Score: -0.76 |
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):