| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208932
Max Phase: Preclinical
Molecular Formula: C20H17NO3
Molecular Weight: 319.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1
Standard InChI: InChI=1S/C20H17NO3/c22-20(17-7-6-15-3-1-2-4-16(15)12-17)21-10-9-14-5-8-18-19(11-14)24-13-23-18/h1-8,11-12H,9-10,13H2,(H,21,22)
Standard InChI Key: QACYXOPDEIZVJX-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: 319.36 | Molecular Weight (Monoisotopic): 319.1208 | AlogP: 3.54 | #Rotatable Bonds: 4 |
| Polar Surface Area: 47.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.67 | CX LogD: 3.67 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.80 | Np Likeness Score: -0.55 |
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):