| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4225228
Max Phase: Preclinical
Molecular Formula: C24H28N2O9
Molecular Weight: 488.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C#CCOCCOCCOCCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
Standard InChI: InChI=1S/C24H28N2O9/c1-2-8-31-9-10-32-11-12-33-13-14-34-15-16-35-19-5-3-4-17-21(19)24(30)26(23(17)29)18-6-7-20(27)25-22(18)28/h1,3-5,18H,6-16H2,(H,25,27,28)
Standard InChI Key: QECIOORDFXFBPX-UHFFFAOYSA-N
Associated Targets(Human)
Cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4 27 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 488.49 | Molecular Weight (Monoisotopic): 488.1795 | AlogP: 0.17 | #Rotatable Bonds: 15 |
| Polar Surface Area: 129.70 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.59 | CX Basic pKa: | CX LogP: -0.10 | CX LogD: -0.10 |
| Aromatic Rings: 1 | Heavy Atoms: 35 | QED Weighted: 0.21 | Np Likeness Score: -0.46 |
References
| 1. Wurz RP, Dellamaggiore K, Dou H, Javier N, Lo MC, McCarter JD, Mohl D, Sastri C, Lipford JR, Cee VJ.. (2018) A "Click Chemistry Platform" for the Rapid Synthesis of Bispecific Molecules for Inducing Protein Degradation., 61 (2): [PMID:28378579] [10.1021/acs.jmedchem.6b01781] |
Source
Source(1):