| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1834572
Max Phase: Preclinical
Molecular Formula: C21H21NO4
Molecular Weight: 351.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(OC)c(C(=O)/C=C/c2ccc3c(ccn3C)c2)c(OC)c1
Standard InChI: InChI=1S/C21H21NO4/c1-22-10-9-15-11-14(5-7-17(15)22)6-8-18(23)21-19(25-3)12-16(24-2)13-20(21)26-4/h5-13H,1-4H3/b8-6+
Standard InChI Key: UEWUBGYKYPDRFE-SOFGYWHQSA-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: 351.40 | Molecular Weight (Monoisotopic): 351.1471 | AlogP: 4.10 | #Rotatable Bonds: 6 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.50 | Np Likeness Score: -0.01 |
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):