| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4859643
Max Phase: Preclinical
Molecular Formula: C34H39ClN4O5
Molecular Weight: 619.16
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCN(C(=O)CCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(C(=O)NC(C)(C)C)c1ccc(Cl)cc1
Standard InChI: InChI=1S/C34H39ClN4O5/c1-5-38(30(32(43)37-34(2,3)4)23-15-17-24(35)18-16-23)29(41)14-9-7-6-8-11-22-12-10-13-25-26(22)21-39(33(25)44)27-19-20-28(40)36-31(27)42/h10,12-13,15-18,27,30H,5-7,9,14,19-21H2,1-4H3,(H,37,43)(H,36,40,42)
Standard InChI Key: ICNQJWBMKKSVTJ-UHFFFAOYSA-N
Associated Targets(Human)
RS4-11 1012 Activities
Protein cereblon/E3 ubiquitin-protein ligase Mdm2 233 Activities
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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: 619.16 | Molecular Weight (Monoisotopic): 618.2609 | AlogP: 4.52 | #Rotatable Bonds: 9 |
| Polar Surface Area: 115.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.61 | CX Basic pKa: | CX LogP: 4.05 | CX LogD: 4.05 |
| Aromatic Rings: 2 | Heavy Atoms: 44 | QED Weighted: 0.24 | Np Likeness Score: -0.71 |
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):