| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1923246
Max Phase: Preclinical
Molecular Formula: C19H12BrF6N3O
Molecular Weight: 492.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Standard InChI: InChI=1S/C19H12BrF6N3O/c1-10(11-5-13(18(21,22)23)8-14(6-11)19(24,25)26)28-17(30)12(9-27)7-15-3-2-4-16(20)29-15/h2-8,10H,1H3,(H,28,30)/b12-7+/t10-/m0/s1
Standard InChI Key: OHQKJWNLDVIVTH-QVIVLVACSA-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: 492.22 | Molecular Weight (Monoisotopic): 491.0068 | AlogP: 5.67 | #Rotatable Bonds: 4 |
| Polar Surface Area: 65.78 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.98 | CX Basic pKa: 0.42 | CX LogP: 5.25 | CX LogD: 5.25 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.26 | Np Likeness Score: -1.37 |
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):