| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1923237
Max Phase: Preclinical
Molecular Formula: C18H14BrN3O
Molecular Weight: 368.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@@H]1CCc2ccccc21
Standard InChI: InChI=1S/C18H14BrN3O/c19-17-7-3-5-14(21-17)10-13(11-20)18(23)22-16-9-8-12-4-1-2-6-15(12)16/h1-7,10,16H,8-9H2,(H,22,23)/b13-10+/t16-/m1/s1
Standard InChI Key: YDUPEOVBVLLSRR-QSOAKEGCSA-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: 368.23 | Molecular Weight (Monoisotopic): 367.0320 | AlogP: 3.55 | #Rotatable Bonds: 3 |
| 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: 11.99 | CX Basic pKa: 0.43 | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: -1.12 |
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):