| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA427553
Max Phase: Preclinical
Molecular Formula: C17H22N2O2
Molecular Weight: 286.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCNC(=O)/C(C#N)=C/c1cccc(OC)c1
Standard InChI: InChI=1S/C17H22N2O2/c1-3-4-5-6-10-19-17(20)15(13-18)11-14-8-7-9-16(12-14)21-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,19,20)/b15-11+
Standard InChI Key: FASXXJDAWKMQRZ-RVDMUPIBSA-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: 286.38 | Molecular Weight (Monoisotopic): 286.1681 | AlogP: 3.30 | #Rotatable Bonds: 8 |
| Polar Surface Area: 62.12 | 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: 3.42 | CX LogD: 3.42 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.45 | Np Likeness Score: -0.75 |
References
| 1. Hill T, Odell LR, Edwards JK, Graham ME, McGeachie AB, Rusak J, Quan A, Abagyan R, Scott JL, Robinson PJ, McCluskey A.. (2005) Small molecule inhibitors of dynamin I GTPase activity: development of dimeric tyrphostins., 48 (24): [PMID:16302817] [10.1021/jm040208l] |
Source
Source(1):