Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4L1AM42NVA

Structure

InChI Key ISOCDPQFIXDIMS-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Polycythemia Vera 1 D011087 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials

Related Entries

Scaffolds

Cross References

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