| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4466169
Max Phase: Preclinical
Molecular Formula: C15H19N3O3
Molecular Weight: 289.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(Nc2ccccc2N2CCOCC2)C(=O)N1
Standard InChI: InChI=1S/C15H19N3O3/c19-14-6-5-12(15(20)17-14)16-11-3-1-2-4-13(11)18-7-9-21-10-8-18/h1-4,12,16H,5-10H2,(H,17,19,20)
Standard InChI Key: WBYAHIPMCICAIV-UHFFFAOYSA-N
Associated Targets(Human)
Protein cereblon 139 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: 289.34 | Molecular Weight (Monoisotopic): 289.1426 | AlogP: 0.74 | #Rotatable Bonds: 3 |
| Polar Surface Area: 70.67 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.62 | CX Basic pKa: 2.36 | CX LogP: 0.43 | CX LogD: 0.43 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -0.99 |
References
| 1. Kargbo RB.. (2019) PROTAC Molecules for the Treatment of Autoimmune Disorders., 10 (3): [PMID:30891126] [10.1021/acsmedchemlett.9b00042] |
Source
Source(1):