| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3918866
Max Phase: Preclinical
Molecular Formula: C23H29N7O3
Molecular Weight: 451.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCc1cc2cnc(N(c3ccccn3)N3CCNC(O)C3)nc2n(C2CCCC2)c1=O
Standard InChI: InChI=1S/C23H29N7O3/c1-33-15-17-12-16-13-26-23(27-21(16)29(22(17)32)18-6-2-3-7-18)30(19-8-4-5-9-24-19)28-11-10-25-20(31)14-28/h4-5,8-9,12-13,18,20,25,31H,2-3,6-7,10-11,14-15H2,1H3
Standard InChI Key: SEORBQYRVPQTOJ-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: 451.53 | Molecular Weight (Monoisotopic): 451.2332 | AlogP: 1.72 | #Rotatable Bonds: 6 |
| Polar Surface Area: 108.64 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.48 | CX Basic pKa: 7.61 | CX LogP: 1.02 | CX LogD: 0.60 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.58 | Np Likeness Score: -0.53 |
References
| 1. (2003) 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones, |
Source
Source(1):