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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase LKB subfamily
- - 714 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - 942 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 1559 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 3956 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 308 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 860 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKB subfamily
- - 1884 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 686 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - 1264 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- - 1884 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - 517 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - 777 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 0.4-10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 0.4-10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 1685 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 238 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 3 - - -
Enzyme Transferase
- - - - 8.07-8.36
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -17.41-0.34
Transcription factor
- 23-80 - - -
Unclassified protein
- - 316 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma 1 D002277 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