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N-[4-(5-Oxo-4,5-dihydro-pyrazin-2-yl)-phenyl]-acetamide (SKF-94120)
ID: ALA76210
Chembl Id: CHEMBL76210
PubChem CID: 6917909
Max Phase: Preclinical
Molecular Formula: C12H11N3O2
Molecular Weight: 229.24
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: SKF-94120 | skf94120|CHEMBL76210|SCHEMBL2778375|HKRDYSUZYCDGCG-UHFFFAOYSA-N|SKF-94120|5-(4-acetamidophenyl)-2(1H)-pyrazinone|5-(4-acetamidophenyl)-2-(1H)-pyrazinone
Canonical SMILES: CC(=O)Nc1ccc(-c2cnc(O)cn2)cc1
Standard InChI: InChI=1S/C12H11N3O2/c1-8(16)15-10-4-2-9(3-5-10)11-6-14-12(17)7-13-11/h2-7H,1H3,(H,14,17)(H,15,16)
Standard InChI Key: HKRDYSUZYCDGCG-UHFFFAOYSA-N
Associated Targets(Human)
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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Calculated Properties
Molecular Weight: 229.24 | Molecular Weight (Monoisotopic): 229.0851 | AlogP: 1.81 | #Rotatable Bonds: 2 |
Polar Surface Area: 75.11 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
#RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 11.26 | CX Basic pKa: 0.19 | CX LogP: 1.10 | CX LogD: 1.10 |
Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.82 | Np Likeness Score: -1.06 |