| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4793320
Max Phase: Preclinical
Molecular Formula: C24H22N2O2
Molecular Weight: 370.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1
Standard InChI: InChI=1S/C24H22N2O2/c1-17(2)26(24(27)23-14-20-8-3-4-11-22(20)28-23)16-18-7-5-9-19(13-18)21-10-6-12-25-15-21/h3-15,17H,16H2,1-2H3
Standard InChI Key: RPDXPDRLKFNUBC-UHFFFAOYSA-N
Associated Targets(Human)
Proteasome Macropain subunit MB1 2451 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 370.45 | Molecular Weight (Monoisotopic): 370.1681 | AlogP: 5.55 | #Rotatable Bonds: 5 |
| Polar Surface Area: 46.34 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.72 | CX LogP: 4.28 | CX LogD: 4.28 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.46 | Np Likeness Score: -1.35 |
References
| 1. Yang Y,Wang K,Wu B,Yang Y,Lai F,Chen X,Xiao Z. (2020) Design, synthesis and biological evaluation of triaryl compounds as novel 20S proteasome inhibitors., 30 (21.0): [PMID:32853683] [10.1016/j.bmcl.2020.127508] |
Source
Source(1):