4-[5-(2-Fluoro-4-methanesulfonylphenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid 1-methylcyclopropyl ester

ID: ALA3716002

Chembl Id: CHEMBL3716002

PubChem CID: 71736724

Max Phase: Preclinical

Molecular Formula: C24H25FN2O5S

Molecular Weight: 472.54

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CC1(OC(=O)N2CCC(c3cc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc4o3)CC2)CC1

Standard InChI:  InChI=1S/C24H25FN2O5S/c1-24(7-8-24)32-23(28)27-9-5-15(6-10-27)21-12-16-11-20(26-14-22(16)31-21)18-4-3-17(13-19(18)25)33(2,29)30/h3-4,11-15H,5-10H2,1-2H3

Standard InChI Key:  ADPGUJRLSZAKJG-UHFFFAOYSA-N

Associated Targets(Human)

GPR119 Tclin Glucose-dependent insulinotropic receptor (4762 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: 472.54Molecular Weight (Monoisotopic): 472.1468AlogP: 4.91#Rotatable Bonds: 4
Polar Surface Area: 89.71Molecular Species: NEUTRALHBA: 6HBD:
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 2.09CX LogP: 2.85CX LogD: 2.85
Aromatic Rings: 3Heavy Atoms: 33QED Weighted: 0.54Np Likeness Score: -0.60

References

1.  (2015)  Furo [2,3-c]pyridines actives on gpr 119, 

Source