(2-((4-bromophenyl)sulfonamido)-4-hydroxypyrimidine-5-carbonyl)glycine

ID: ALA5218607

Chembl Id: CHEMBL5218607

PubChem CID: 168298426

Max Phase: Preclinical

Molecular Formula: C13H11BrN4O6S

Molecular Weight: 431.22

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C(O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1O

Standard InChI:  InChI=1S/C13H11BrN4O6S/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:  YZWDUFGHLUVWGM-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5218607

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Associated Targets(Human)

EGLN1 Tclin Egl nine homolog 1 (1702 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hep 3B2 (2332 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 431.22Molecular Weight (Monoisotopic): 429.9583AlogP: 0.56#Rotatable Bonds: 6
Polar 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: 1.48CX LogD: -2.57
Aromatic Rings: 2Heavy Atoms: 25QED Weighted: 0.52Np Likeness Score: -1.57

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]

Source