| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1923256
Max Phase: Preclinical
Molecular Formula: C20H19N3O3
Molecular Weight: 349.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
Standard InChI: InChI=1S/C20H19N3O3/c1-2-6-19(16-7-4-3-5-8-16)22-20(24)17(14-21)13-15-9-11-18(12-10-15)23(25)26/h3-5,7-13,19H,2,6H2,1H3,(H,22,24)/b17-13+/t19-/m0/s1
Standard InChI Key: HMVYDZAVWQLUPU-UMEYKSNOSA-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: 349.39 | Molecular Weight (Monoisotopic): 349.1426 | AlogP: 4.16 | #Rotatable Bonds: 7 |
| Polar Surface Area: 96.03 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.37 | CX Basic pKa: | CX LogP: 4.41 | CX LogD: 4.41 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.35 | 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):