5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-isopropylpyridine-3-sulfonamide

ID: ALA2205765

Chembl Id: CHEMBL2205765

PubChem CID: 44621441

Max Phase: Preclinical

Molecular Formula: C14H16N6O2S

Molecular Weight: 332.39

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1

Standard InChI:  InChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(7-16-8-12)10-3-4-20-13(6-10)17-14(15)18-20/h3-9,19H,1-2H3,(H2,15,18)

Standard InChI Key:  HRZFUMGOVROJJL-UHFFFAOYSA-N

Associated Targets(Human)

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CA Tclin PI3-kinase p110-alpha subunit (12269 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 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: 332.39Molecular Weight (Monoisotopic): 332.1055AlogP: 1.06#Rotatable Bonds: 4
Polar Surface Area: 115.27Molecular Species: NEUTRALHBA: 7HBD: 2
#RO5 Violations: HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 9.38CX Basic pKa: 2.64CX LogP: 1.05CX LogD: 1.04
Aromatic Rings: 3Heavy Atoms: 23QED Weighted: 0.74Np Likeness Score: -1.85

References

1. Sunose M, Bell K, Ellard K, Bergamini G, Neubauer G, Werner T, Ramsden N..  (2012)  Discovery of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(tert-butyl)pyridine-3-sulfonamide (CZC24758), as a potent, orally bioavailable and selective inhibitor of PI3K for the treatment of inflammatory disease.,  22  (14): [PMID:22726925] [10.1016/j.bmcl.2012.05.090]

Source