| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4856386
Max Phase: Preclinical
Molecular Formula: C27H33NO6
Molecular Weight: 467.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1c2cccc(OCCOCCOCCOCc3ccccc3)c2C(=O)N1C1CCCCC1
Standard InChI: InChI=1S/C27H33NO6/c29-26-23-12-7-13-24(25(23)27(30)28(26)22-10-5-2-6-11-22)34-19-18-32-15-14-31-16-17-33-20-21-8-3-1-4-9-21/h1,3-4,7-9,12-13,22H,2,5-6,10-11,14-20H2
Standard InChI Key: OZCBGPWGOMVJHV-UHFFFAOYSA-N
Associated Targets(Human)
Cereblon/Ikaros 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: 467.56 | Molecular Weight (Monoisotopic): 467.2308 | AlogP: 4.24 | #Rotatable Bonds: 13 |
| Polar Surface Area: 74.30 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.14 | CX LogD: 4.14 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.32 | Np Likeness Score: -0.61 |
References
| 1. Bricelj A, Dora Ng YL, Ferber D, Kuchta R, Müller S, Monschke M, Wagner KG, Krönke J, Sosič I, Gütschow M, Steinebach C.. (2021) Influence of Linker Attachment Points on the Stability and Neosubstrate Degradation of Cereblon Ligands., 12 (11.0): [PMID:34795861] [10.1021/acsmedchemlett.1c00368] |
Source
Source(1):