| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208993
Max Phase: Preclinical
Molecular Formula: C19H17NO2
Molecular Weight: 291.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCc1ccc(OC(=O)c2ccc3ccccc3c2)cc1
Standard InChI: InChI=1S/C19H17NO2/c20-12-11-14-5-9-18(10-6-14)22-19(21)17-8-7-15-3-1-2-4-16(15)13-17/h1-10,13H,11-12,20H2
Standard InChI Key: FGLUDCJXOKUDPK-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: 291.35 | Molecular Weight (Monoisotopic): 291.1259 | AlogP: 3.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.32 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.79 | CX LogP: 4.04 | CX LogD: 1.73 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.59 | Np Likeness Score: -0.23 |
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):