| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4088165
Max Phase: Preclinical
Molecular Formula: C20H19N3O5S
Molecular Weight: 413.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
Standard InChI: InChI=1S/C20H19N3O5S/c1-12-5-7-13(8-6-12)29(27,28)22-16-4-2-3-14-15(16)11-23(20(14)26)17-9-10-18(24)21-19(17)25/h2-8,17,22H,9-11H2,1H3,(H,21,24,25)
Standard InChI Key: INSBIAPVHBCNHS-UHFFFAOYSA-N
Associated Targets(Human)
EC9706 176 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 413.46 | Molecular Weight (Monoisotopic): 413.1045 | AlogP: 1.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 112.65 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.71 | CX Basic pKa: | CX LogP: 1.12 | CX LogD: 0.97 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.74 | Np Likeness Score: -0.72 |
References
| 1. Hu S, Yuan L, Yan H, Li Z.. (2017) Design, synthesis and biological evaluation of Lenalidomide derivatives as tumor angiogenesis inhibitor., 27 (17): [PMID:28757066] [10.1016/j.bmcl.2017.07.046] |
Source
Source(1):