| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3717335
Max Phase: Preclinical
Molecular Formula: C26H27N3O2
Molecular Weight: 413.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1ccc(-c2ccc(C(=O)NCC(=O)NC3CNCc4ccccc43)cc2)cc1
Standard InChI: InChI=1S/C26H27N3O2/c1-2-18-7-9-19(10-8-18)20-11-13-21(14-12-20)26(31)28-17-25(30)29-24-16-27-15-22-5-3-4-6-23(22)24/h3-14,24,27H,2,15-17H2,1H3,(H,28,31)(H,29,30)
Standard InChI Key: ZEGLWOVBWQUGAL-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase TAO1 2019 Activities
Serine/threonine-protein kinase TAO3 1005 Activities
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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 |
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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: 413.52 | Molecular Weight (Monoisotopic): 413.2103 | AlogP: 3.61 | #Rotatable Bonds: 6 |
| Polar Surface Area: 70.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.15 | CX Basic pKa: 8.16 | CX LogP: 3.72 | CX LogD: 2.89 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.58 | Np Likeness Score: -0.81 |
References
| 1. (2007) Tao Kinase Modulators And Method Of Use, |
Source
Source(1):