| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4863488
Max Phase: Preclinical
Molecular Formula: C34H29ClF3N3O4
Molecular Weight: 636.07
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3c(C#CCCCCC(=O)N(Cc4ccc(Cl)cc4)Cc4cc(F)c(F)c(F)c4)cccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C34H29ClF3N3O4/c35-24-12-10-21(11-13-24)18-40(19-22-16-27(36)32(38)28(37)17-22)31(43)9-4-2-1-3-6-23-7-5-8-25-26(23)20-41(34(25)45)29-14-15-30(42)39-33(29)44/h5,7-8,10-13,16-17,29H,1-2,4,9,14-15,18-20H2,(H,39,42,44)
Standard InChI Key: IKVRLUSCVWHORQ-UHFFFAOYSA-N
Associated Targets(Human)
RS4-11 1012 Activities
Protein cereblon/E3 ubiquitin-protein ligase Mdm2 233 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cereblon/Tumour suppressor p53/oncoprotein Mdm2 52 Activities
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Cereblon/GSPT1 159 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 636.07 | Molecular Weight (Monoisotopic): 635.1799 | AlogP: 5.66 | #Rotatable Bonds: 9 |
| Polar Surface Area: 86.79 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.61 | CX Basic pKa: | CX LogP: 5.69 | CX LogD: 5.69 |
| Aromatic Rings: 3 | Heavy Atoms: 45 | QED Weighted: 0.14 | Np Likeness Score: -0.66 |
References
| 1. Wang B, Liu J, Tandon I, Wu S, Teng P, Liao J, Tang W.. (2021) Development of MDM2 degraders based on ligands derived from Ugi reactions: Lessons and discoveries., 219 [PMID:33862513] [10.1016/j.ejmech.2021.113425] |
Source
Source(1):