AZD1480   Click here for help

GtoPdb Ligand ID: 5933

Synonyms: AZD 1480 | AZD-1480
PDB Ligand
Compound class: Synthetic organic
Comment: AZD1480 is a novel ATP-competitive inhibitor of JAK1 and JAK2 [2]. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 104.3
Molecular weight 348.1
XLogP 2.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cnc(nc1)C(Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C
Isomeric SMILES Fc1cnc(nc1)[C@@H](Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C
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
InChI Key PDOQBOJDRPLBQU-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
Synonyms Click here for help
AZD 1480 | AZD-1480
Database Links Click here for help
CAS Registry No. 935666-88-9
ChEMBL Ligand CHEMBL1231124
GtoPdb PubChem SID 178102556
PubChem CID 16659841
RCSB PDB Ligand AZ5
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Tocris
AZD 1480
Cat. No. 5617