| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4583085
Max Phase: Preclinical
Molecular Formula: C43H47ClN10O2
Molecular Weight: 771.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nnc2n1-c1ccc(-c3cnn(CCCCCCN4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)c3)cc1C(c1ccc(Cl)cc1)=NC21CC1
Standard InChI: InChI=1S/C43H47ClN10O2/c1-29-49-50-42-43(18-19-43)48-40(30-6-9-33(44)10-7-30)36-26-31(8-16-38(36)54(29)42)32-27-45-53(28-32)21-5-3-2-4-20-51-22-24-52(25-23-51)35-13-11-34(12-14-35)46-37-15-17-39(55)47-41(37)56/h6-14,16,26-28,37,46H,2-5,15,17-25H2,1H3,(H,47,55,56)
Standard InChI Key: CYZNLZCEQIHJMZ-UHFFFAOYSA-N
Associated Targets(Human)
Protein cereblon 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: 771.37 | Molecular Weight (Monoisotopic): 770.3572 | AlogP: 6.53 | #Rotatable Bonds: 12 |
| Polar Surface Area: 125.57 | Molecular Species: BASE | HBA: 11 | HBD: 2 |
| #RO5 Violations: 3 | HBA (Lipinski): 12 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 11.62 | CX Basic pKa: 8.64 | CX LogP: 5.59 | CX LogD: 4.32 |
| Aromatic Rings: 5 | Heavy Atoms: 56 | QED Weighted: 0.11 | Np Likeness Score: -1.00 |
References
| 1. Kargbo RB.. (2019) PROTAC Molecules for the Treatment of Autoimmune Disorders., 10 (3): [PMID:30891126] [10.1021/acsmedchemlett.9b00042] |
Source
Source(1):