| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4861174
Max Phase: Preclinical
Molecular Formula: C39H45F3N4O5
Molecular Weight: 706.81
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)NC(=O)C(C1CCCCC1)N(Cc1cc(F)c(F)c(F)c1)C(=O)CCCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
Standard InChI: InChI=1S/C39H45F3N4O5/c1-39(2,3)44-37(50)35(26-13-8-6-9-14-26)46(22-24-20-29(40)34(42)30(41)21-24)33(48)17-10-5-4-7-12-25-15-11-16-27-28(25)23-45(38(27)51)31-18-19-32(47)43-36(31)49/h11,15-16,20-21,26,31,35H,4-6,8-10,13-14,17-19,22-23H2,1-3H3,(H,44,50)(H,43,47,49)
Standard InChI Key: SRTZHKMVLVXXAG-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: 706.81 | Molecular Weight (Monoisotopic): 706.3342 | AlogP: 5.67 | #Rotatable Bonds: 10 |
| Polar Surface Area: 115.89 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.61 | CX Basic pKa: | CX LogP: 5.63 | CX LogD: 5.63 |
| Aromatic Rings: 2 | Heavy Atoms: 51 | 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):