| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3187814
Max Phase: Preclinical
Molecular Formula: C15H18N4O
Molecular Weight: 270.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)Nc1cc(NC(=O)c2ccccc2)ncn1
Standard InChI: InChI=1S/C15H18N4O/c1-15(2,3)19-13-9-12(16-10-17-13)18-14(20)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,16,17,18,19,20)
Standard InChI Key: AMSIBMLVPJEARM-UHFFFAOYSA-N
Associated Targets(non-human)
Protein Wnt-3a 429 Activities
Zinc finger protein GLI1 501 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: 270.34 | Molecular Weight (Monoisotopic): 270.1481 | AlogP: 2.94 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.91 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.86 | CX Basic pKa: 3.69 | CX LogP: 2.86 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.90 | Np Likeness Score: -1.22 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):