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N-(2,5-Diphenyloxazolo[5,4-d]pyrimidin-7-yl)acetamide
ID: ALA4574016
Chembl Id: CHEMBL4574016
PubChem CID: 155564053
Max Phase: Preclinical
Molecular Formula: C19H13ClN4O2
Molecular Weight: 364.79
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: CC(=O)Nc1nc(-c2ccccc2)nc2oc(-c3ccc(Cl)cc3)nc12
Standard InChI: InChI=1S/C19H13ClN4O2/c1-11(25)21-17-15-19(24-16(23-17)12-5-3-2-4-6-12)26-18(22-15)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,21,23,24,25)
Standard InChI Key: JJHXIFYTZYNKJR-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
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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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Calculated Properties
Molecular Weight: 364.79 | Molecular Weight (Monoisotopic): 364.0727 | AlogP: 4.56 | #Rotatable Bonds: 3 |
Polar Surface Area: 80.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
#RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 10.20 | CX Basic pKa: ┄ | CX LogP: 4.81 | CX LogD: 4.81 |
Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.58 | Np Likeness Score: -1.29 |
References
1. Köse M, Schiedel AC, Bauer AA, Poschenrieder H, Burbiel JC, Akkinepally RR, Stachel HD, Müller CE.. (2016) Focused screening to identify new adenosine kinase inhibitors., 24 (21): [PMID:27595538] [10.1016/j.bmc.2016.08.026] |