2-(2,6-difluorophenyl)-N-(4-(piperidin-1-yl)pyridin-3-yl)imidazo[1,5-b]pyridazin-7-amine

ID: ALA3895205

Chembl Id: CHEMBL3895205

PubChem CID: 71007300

Max Phase: Preclinical

Molecular Formula: C22H20F2N6

Molecular Weight: 406.44

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3N3CCCCC3)n2n1

Standard InChI:  InChI=1S/C22H20F2N6/c23-16-5-4-6-17(24)21(16)18-8-7-15-13-26-22(30(15)28-18)27-19-14-25-10-9-20(19)29-11-2-1-3-12-29/h4-10,13-14H,1-3,11-12H2,(H,26,27)

Standard InChI Key:  HBTNSXWZJPWSMF-UHFFFAOYSA-N

Associated Targets(Human)

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM (115 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: 406.44Molecular Weight (Monoisotopic): 406.1718AlogP: 4.80#Rotatable Bonds: 4
Polar Surface Area: 58.35Molecular Species: BASEHBA: 6HBD: 1
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 8.75CX LogP: 4.49CX LogD: 3.64
Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.53Np Likeness Score: -1.50

References

1. Wurz RP, Sastri C, D'Amico DC, Herberich B, Jackson CLM, Pettus LH, Tasker AS, Wu B, Guerrero N, Lipford JR, Winston JT, Yang Y, Wang P, Nguyen Y, Andrews KL, Huang X, Lee MR, Mohr C, Zhang JD, Reid DL, Xu Y, Zhou Y, Wang HL..  (2016)  Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.,  26  (22): [PMID:27769621] [10.1016/j.bmcl.2016.09.067]
2.  (2015)  Bicyclic pyridazine compounds as Pim inhibitors,