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(2-((4-chlorophenyl)sulfonamido)-4-hydroxypyrimidine-5-carbonyl)glycine ID: ALA5218506
Chembl Id: CHEMBL5218506
PubChem CID: 157164321
Max Phase: Preclinical
Molecular Formula: C13H11ClN4O6S
Molecular Weight: 386.77
Associated Items:
Names and Identifiers Canonical SMILES: O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1O
Standard InChI: InChI=1S/C13H11ClN4O6S/c14-7-1-3-8(4-2-7)25(23,24)18-13-16-5-9(12(22)17-13)11(21)15-6-10(19)20/h1-5H,6H2,(H,15,21)(H,19,20)(H2,16,17,18,22)
Standard InChI Key: AMSQEBCAQWKJNH-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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
Calculated Properties Molecular Weight: 386.77Molecular Weight (Monoisotopic): 386.0088AlogP: 0.45#Rotatable Bonds: 6Polar Surface Area: 158.58Molecular Species: ACIDHBA: 7HBD: 4#RO5 Violations: ┄HBA (Lipinski): 10HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 2.33CX Basic pKa: ┄CX LogP: 1.31CX LogD: -2.73Aromatic Rings: 2Heavy Atoms: 25QED Weighted: 0.56Np Likeness Score: -1.68
References 1. Zhi S, Cai J, Wang H, Tan C, Yang Z, Dai L, Zhang T, Wang H, Li D.. (2022) Synthesis and biological evaluation of (4-hydroxy-2-(substitued sulfonamido)pyrimidine-5-carbonyl)glycines as oral erythropoietin secretagogues., 76 [PMID:36174835 ] [10.1016/j.bmcl.2022.129007 ]