| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1923243
Max Phase: Preclinical
Molecular Formula: C17H11BrF3N3O
Molecular Weight: 410.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@H](c1ccccc1)C(F)(F)F
Standard InChI: InChI=1S/C17H11BrF3N3O/c18-14-8-4-7-13(23-14)9-12(10-22)16(25)24-15(17(19,20)21)11-5-2-1-3-6-11/h1-9,15H,(H,24,25)/b12-9+/t15-/m1/s1
Standard InChI Key: PXPNQYMIGCOUQR-SAAWKEMMSA-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: 410.19 | Molecular Weight (Monoisotopic): 409.0038 | AlogP: 4.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 65.78 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.74 | CX Basic pKa: 0.42 | CX LogP: 4.09 | CX LogD: 4.09 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.47 | Np Likeness Score: -1.30 |
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):