| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4095889
Max Phase: Preclinical
Molecular Formula: C21H21N3O3
Molecular Weight: 363.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
Standard InChI: InChI=1S/C21H21N3O3/c1-13-5-7-14(8-6-13)11-22-17-4-2-3-15-16(17)12-24(21(15)27)18-9-10-19(25)23-20(18)26/h2-8,18,22H,9-12H2,1H3,(H,23,25,26)
Standard InChI Key: GKNIZGJYLWKLMB-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: 363.42 | Molecular Weight (Monoisotopic): 363.1583 | AlogP: 2.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.51 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 2.29 | CX LogP: 1.83 | CX LogD: 1.83 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.82 | Np Likeness Score: -0.39 |
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):