5-[6-(2-naphthalenyl)-2-oxo-1,2-dihydro-3-pyridinyl]-1,3-oxazolidine-2,4-dione

ID: ALA2035507

Chembl Id: CHEMBL2035507

Max Phase: Preclinical

Molecular Formula: C18H12N2O4

Molecular Weight: 320.30

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C1NC(=O)C(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1

Standard InChI:  InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,15H,(H,19,21)(H,20,22,23)

Standard InChI Key:  ULLMPWRVQAIRRY-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA2035507

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Associated Targets(Human)

PTGER1 Tclin Prostanoid EP1 receptor (1696 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGER3 Tclin Prostanoid EP3 receptor (1985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptger3 Prostanoid EP3 receptor (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: 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: 320.30Molecular Weight (Monoisotopic): 320.0797AlogP: 2.50#Rotatable Bonds: 2
Polar Surface Area: 88.26Molecular Species: ACIDHBA: 4HBD: 2
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 6.28CX Basic pKa: CX LogP: 1.43CX LogD: 0.34
Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.76Np Likeness Score: -0.16

References

1. Jin J, Morales-Ramos A, Eidam P, Mecom J, Li Y, Brooks C, Hilfiker M, Zhang D, Wang N, Shi D, Tseng PS, Wheless K, Budzik B, Evans K, Jaworski JP, Jugus J, Leon L, Wu C, Pullen M, Karamshi B, Rao P, Ward E, Laping N, Evans C, Leach C, Holt D, Su X, Morrow D, Fries H, Thorneloe K, Edwards R..  (2010)  Novel 3-Oxazolidinedione-6-aryl-pyridinones as Potent, Selective, and Orally Active EP3 Receptor Antagonists.,  (7): [PMID:24900213] [10.1021/ml100077x]

Source