| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208928
Max Phase: Preclinical
Molecular Formula: C20H19NO3
Molecular Weight: 321.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1
Standard InChI: InChI=1S/C20H19NO3/c1-24-17-8-6-14(7-9-17)10-11-21-20(23)18-12-15-4-2-3-5-16(15)13-19(18)22/h2-9,12-13,22H,10-11H2,1H3,(H,21,23)
Standard InChI Key: VJWXLRADQQTOHE-UHFFFAOYSA-N
Associated Targets(Human)
Dynamin-1 215 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: 321.38 | Molecular Weight (Monoisotopic): 321.1365 | AlogP: 3.53 | #Rotatable Bonds: 5 |
| Polar Surface Area: 58.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.97 | CX Basic pKa: | CX LogP: 4.24 | CX LogD: 4.14 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.76 | Np Likeness Score: -0.51 |
References
| 1. Lee S, Jung KY, Park J, Cho JH, Kim YC, Chang S.. (2010) Synthesis of potent chemical inhibitors of dynamin GTPase., 20 (16): [PMID:20621477] [10.1016/j.bmcl.2010.06.092] |
Source
Source(1):