Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KL2Z2TLF01

Structure

InChI Key PDOQBOJDRPLBQU-QMMMGPOBSA-N
Smile Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1
InChI
InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14ClFN8
Molecular Weight 348.77
AlogP 3.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 104.3
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1231124
DrugBank DB12588
EPA CompTox DTXSID50239469
FDA SRS KL2Z2TLF01
Guide to Pharmacology 5933
PDB AZ5
PubChem 16659841
SureChEMBL SCHEMBL3345019
ZINC ZINC000058631551