XL019   

GtoPdb Ligand ID: 7971

Synonyms: XL 019 | XL-019
Compound class: Synthetic organic
Comment: XL019 is a selective inhibitor of Janus kinase 2 (JAK2) [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 91.41
Molecular weight 444.23
XLogP 2.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
Isomeric SMILES O=C([C@@H]1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
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)/t23-/m0/s1
InChI Key ISOCDPQFIXDIMS-QHCPKHFHSA-N
No information available.
Summary of Clinical Use
Phase I clinical trials of this compound for myeloproliferative disorders were terminated and development has not progressed.