| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3897354
Max Phase: Preclinical
Molecular Formula: C26H34N6O2
Molecular Weight: 462.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOCCc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O
Standard InChI: InChI=1S/C26H34N6O2/c1-2-34-16-11-19-17-20-18-28-26(30-24(20)32(25(19)33)23-5-3-4-6-23)29-21-7-9-22(10-8-21)31-14-12-27-13-15-31/h7-10,17-18,23,27H,2-6,11-16H2,1H3,(H,28,29,30)
Standard InChI Key: RNJBKGOBEDAWSH-UHFFFAOYSA-N
Associated Targets(Human)
Cyclin-dependent kinase 4/cyclin D1 2340 Activities
CDK2/Cyclin A2 2260 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Fibroblast growth factor receptor 331 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 |
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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: 462.60 | Molecular Weight (Monoisotopic): 462.2743 | AlogP: 3.64 | #Rotatable Bonds: 8 |
| Polar Surface Area: 84.31 | Molecular Species: BASE | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.91 | CX LogP: 3.58 | CX LogD: 2.06 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.49 | Np Likeness Score: -1.12 |
References
| 1. (2003) 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones, |
Source
Source(1):