| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4572277
Max Phase: Preclinical
Molecular Formula: C20H13FN4O3
Molecular Weight: 376.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1
Standard InChI: InChI=1S/C20H13FN4O3/c21-14-8-6-12(7-9-14)17-13(10-16-18(26)22-20(28)23-19(16)27)11-25(24-17)15-4-2-1-3-5-15/h1-11H,(H2,22,23,26,27,28)
Standard InChI Key: ARTDKNOKUCUDET-UHFFFAOYSA-N
Associated Targets(Human)
Ectonucleoside triphosphate diphosphohydrolase 5 478 Activities
Associated Targets(non-human)
Uridylate kinase 158 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 376.35 | Molecular Weight (Monoisotopic): 376.0972 | AlogP: 2.43 | #Rotatable Bonds: 3 |
| Polar Surface Area: 93.09 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.98 | CX Basic pKa: 1.32 | CX LogP: 3.04 | CX LogD: 2.50 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: -1.67 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):