| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3979462
Max Phase: Preclinical
Molecular Formula: C25H32N6O2
Molecular Weight: 448.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOCc1cc2cnc(NC3CCCCN3c3cccnc3)nc2n(C2CCCC2)c1=O
Standard InChI: InChI=1S/C25H32N6O2/c1-2-33-17-19-14-18-15-27-25(29-23(18)31(24(19)32)20-8-3-4-9-20)28-22-11-5-6-13-30(22)21-10-7-12-26-16-21/h7,10,12,14-16,20,22H,2-6,8-9,11,13,17H2,1H3,(H,27,28,29)
Standard InChI Key: SHDOXKQVNTWZCX-UHFFFAOYSA-N
Associated Targets(Human)
Cyclin-dependent kinase 4/cyclin D1 2340 Activities
CDK2/Cyclin A2 2260 Activities
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Fibroblast growth factor receptor 331 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: 448.57 | Molecular Weight (Monoisotopic): 448.2587 | AlogP: 4.27 | #Rotatable Bonds: 7 |
| Polar Surface Area: 85.17 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.62 | CX Basic pKa: 5.52 | CX LogP: 3.39 | CX LogD: 3.39 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.58 | Np Likeness Score: -0.82 |
References
| 1. (2003) 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones, |
Source
Source(1):