Synonyms
Status
Molecule Category Free-form
UNII 4L1AM42NVA

Structure

InChI Key ISOCDPQFIXDIMS-UHFFFAOYSA-N
Smiles O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C1CCCN1
InChI
InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N6O2
Molecular Weight 444.54
AlogP 3.41
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 91.41
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase JAK2 inhibitor INHIBITOR PubMed PubMed

Target Conservation

Protein: Tyrosine-protein kinase JAK2

Description: Tyrosine-protein kinase JAK2

Organism : Homo sapiens

O60674 ENSG00000096968

Cross References

Resources Reference
ChEMBL CHEMBL3545328
FDA SRS 4L1AM42NVA
PubChem 57990869
SureChEMBL SCHEMBL4379072