| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3942419
Max Phase: Preclinical
Molecular Formula: C23H27BrN6O
Molecular Weight: 483.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(Br)c(=O)n(C2CCCC2)c2nc(NC3CCCCN3c3cccnc3)ncc12
Standard InChI: InChI=1S/C23H27BrN6O/c1-15-18-14-26-23(27-19-10-4-5-12-29(19)17-9-6-11-25-13-17)28-21(18)30(22(31)20(15)24)16-7-2-3-8-16/h6,9,11,13-14,16,19H,2-5,7-8,10,12H2,1H3,(H,26,27,28)
Standard InChI Key: DQSONUYTLIBYOC-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: 483.41 | Molecular Weight (Monoisotopic): 482.1430 | AlogP: 4.80 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.94 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.47 | CX Basic pKa: 5.52 | CX LogP: 4.40 | CX LogD: 4.40 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.57 | Np Likeness Score: -0.79 |
References
| 1. (2003) 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones, |
Source
Source(1):