| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4572078
Max Phase: Preclinical
Molecular Formula: C18H14N2O3
Molecular Weight: 306.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc(-c2ccc(OC3CCC(=O)NC3=O)cc2)cc1
Standard InChI: InChI=1S/C18H14N2O3/c19-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)23-16-9-10-17(21)20-18(16)22/h1-8,16H,9-10H2,(H,20,21,22)
Standard InChI Key: LIDBPNAFSSGCOB-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: 306.32 | Molecular Weight (Monoisotopic): 306.1004 | AlogP: 2.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.19 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.48 | CX Basic pKa: | CX LogP: 2.42 | CX LogD: 2.42 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -0.39 |
References
| 1. Kargbo RB.. (2019) PROTAC Molecules for the Treatment of Autoimmune Disorders., 10 (3): [PMID:30891126] [10.1021/acsmedchemlett.9b00042] |
Source
Source(1):