5,5-dimethyl-3-[6-(2H-spiro[1-benzofuran-3,1'-cyclopropan]-4-yloxy)-3-pyridinyl]-2,4-imidazolidinedione

ID: ALA4105426

Chembl Id: CHEMBL4105426

PubChem CID: 57410334

Max Phase: Preclinical

Molecular Formula: C20H19N3O4

Molecular Weight: 365.39

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CC1(C)NC(=O)N(c2ccc(Oc3cccc4c3C3(CC3)CO4)nc2)C1=O

Standard InChI:  InChI=1S/C20H19N3O4/c1-19(2)17(24)23(18(25)22-19)12-6-7-15(21-10-12)27-14-5-3-4-13-16(14)20(8-9-20)11-26-13/h3-7,10H,8-9,11H2,1-2H3,(H,22,25)

Standard InChI Key:  BUQRXVHOLHZBJQ-UHFFFAOYSA-N

Associated Targets(Human)

KCNC2 Tclin Potassium voltage-gated channel subfamily C member 2 (22 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: 365.39Molecular Weight (Monoisotopic): 365.1376AlogP: 3.13#Rotatable Bonds: 3
Polar Surface Area: 80.76Molecular Species: NEUTRALHBA: 5HBD: 1
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 1.65CX LogP: 2.47CX LogD: 2.47
Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.85Np Likeness Score: -0.74

References

1.  (2011)  Imidazolidinedione derivatives, 

Source