| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4459677
Max Phase: Preclinical
Molecular Formula: C16H22N4O2
Molecular Weight: 302.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
Standard InChI: InChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-14-6-7-15(21)18-16(14)22/h2-5,14,17H,6-11H2,1H3,(H,18,21,22)
Standard InChI Key: GRQMMULSBXXEST-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: 302.38 | Molecular Weight (Monoisotopic): 302.1743 | AlogP: 0.66 | #Rotatable Bonds: 3 |
| Polar Surface Area: 64.68 | 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: 8.02 | CX LogP: 0.50 | CX LogD: -0.21 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -0.95 |
References
| 1. Kargbo RB.. (2019) PROTAC Molecules for the Treatment of Autoimmune Disorders., 10 (3): [PMID:30891126] [10.1021/acsmedchemlett.9b00042] |
Source
Source(1):