AZD-1480

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Synonyms
Status
Molecule Category Free-form
UNII KL2Z2TLF01
EPA CompTox DTXSID50239469

Structure

InChI Key PDOQBOJDRPLBQU-QMMMGPOBSA-N
Smiles 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

Mechanism of Action Action Reference
Tyrosine-protein kinase JAK2 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 58 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 58 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 3 - - -
Transcription factor
- 23-80 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 23-730 - - -
Mus musculus
- 46 - - -

Target Conservation

Protein: Tyrosine-protein kinase JAK2
Description: Tyrosine-protein kinase JAK2
Organism : Homo sapiens
O60674 ENSG00000096968

Cross References

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