| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552409
Max Phase: Preclinical
Molecular Formula: C20H27N3O5
Molecular Weight: 389.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1
Standard InChI: InChI=1S/C20H27N3O5/c1-20(2,3)28-19(26)23-12-10-22(11-13-23)14-4-6-15(7-5-14)27-16-8-9-17(24)21-18(16)25/h4-7,16H,8-13H2,1-3H3,(H,21,24,25)
Standard InChI Key: DTIVTHOMUDEPOH-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: 389.45 | Molecular Weight (Monoisotopic): 389.1951 | AlogP: 1.93 | #Rotatable Bonds: 3 |
| Polar Surface Area: 88.18 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.48 | CX Basic pKa: 3.90 | CX LogP: 1.77 | CX LogD: 1.77 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.80 | Np Likeness Score: -0.79 |
References
| 1. Kargbo RB.. (2019) PROTAC Molecules for the Treatment of Autoimmune Disorders., 10 (3): [PMID:30891126] [10.1021/acsmedchemlett.9b00042] |
Source
Source(1):