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4-methoxy-6-phenyl-1H-pyrimidine-2-thione
ID: ALA1324345
Max Phase: Preclinical
Molecular Formula: C11H10N2OS
Molecular Weight: 218.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(-c2ccccc2)nc(S)n1
Standard InChI: InChI=1S/C11H10N2OS/c1-14-10-7-9(12-11(15)13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,15)
Standard InChI Key: ZFOOVAVTANPKPB-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 218.28 | Molecular Weight (Monoisotopic): 218.0514 | AlogP: 2.44 | #Rotatable Bonds: 2 |
| Polar Surface Area: 35.01 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: 2.51 | CX LogP: 3.29 | CX LogD: 3.29 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.62 | Np Likeness Score: -1.19 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
