| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3213371
Max Phase: Preclinical
Molecular Formula: C15H18N4O2
Molecular Weight: 286.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccc(/C=N/NC(=O)Cn2ccnc2C)cc1
Standard InChI: InChI=1S/C15H18N4O2/c1-3-21-14-6-4-13(5-7-14)10-17-18-15(20)11-19-9-8-16-12(19)2/h4-10H,3,11H2,1-2H3,(H,18,20)/b17-10+
Standard InChI Key: IKGXJHKXTLWVOZ-LICLKQGHSA-N
Associated Targets(Human)
DNA polymerase beta 23632 Activities
DNA polymerase iota 116820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Glucagon-like peptide 1 receptor 111429 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: 286.34 | Molecular Weight (Monoisotopic): 286.1430 | AlogP: 1.74 | #Rotatable Bonds: 6 |
| Polar Surface Area: 68.51 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.66 | CX Basic pKa: 7.28 | CX LogP: 1.21 | CX LogD: 0.99 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.65 | Np Likeness Score: -2.26 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):