| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2312431
Max Phase: Preclinical
Molecular Formula: C26H45N3
Molecular Weight: 399.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Standard InChI: InChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3
Standard InChI Key: VNQPWAKHRCXOLL-UHFFFAOYSA-N
Associated Targets(Human)
Dynamin-2 62 Activities
HeLa 62764 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 399.67 | Molecular Weight (Monoisotopic): 399.3613 | AlogP: 6.60 | #Rotatable Bonds: 17 |
| Polar Surface Area: 20.20 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.03 | CX LogP: 6.81 | CX LogD: 2.25 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.30 | Np Likeness Score: -0.91 |
References
| 1. Gordon CP, Venn-Brown B, Robertson MJ, Young KA, Chau N, Mariana A, Whiting A, Chircop M, Robinson PJ, McCluskey A.. (2013) Development of second-generation indole-based dynamin GTPase inhibitors., 56 (1): [PMID:23167654] [10.1021/jm300844m] |
Source
Source(1):