| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1923258
Max Phase: Preclinical
Molecular Formula: C20H20N2O
Molecular Weight: 304.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC[C@H](NC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1
Standard InChI: InChI=1S/C20H20N2O/c1-2-9-19(17-12-7-4-8-13-17)22-20(23)18(15-21)14-16-10-5-3-6-11-16/h3-8,10-14,19H,2,9H2,1H3,(H,22,23)/b18-14+/t19-/m0/s1
Standard InChI Key: FYQRTWWWGGEEIU-ZSFFSCSXSA-N
Associated Targets(Human)
U-266 527 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: 304.39 | Molecular Weight (Monoisotopic): 304.1576 | AlogP: 4.25 | #Rotatable Bonds: 6 |
| Polar Surface Area: 52.89 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.98 | CX Basic pKa: | CX LogP: 4.47 | CX LogD: 4.47 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.64 | Np Likeness Score: -0.77 |
References
| 1. Peng Z, Pal A, Han D, Wang S, Maxwell D, Levitzki A, Talpaz M, Donato NJ, Bornmann W.. (2011) Tyrphostin-like compounds with ubiquitin modulatory activity as possible therapeutic agents for multiple myeloma., 19 (23): [PMID:22036213] [10.1016/j.bmc.2011.09.057] |
Source
Source(1):