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Compound Detail

CHEMBL2207765

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CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4c(Cl)cccc4Cl)n3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207765
Phase Preclinical
Structure Type MOL
InChI Key HNZDEBHWPODCPN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.4
MW (Da)
5.80
ALogP
6
HBA
3
HBD
108.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18Cl2N6O2
MW 493.35
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.89 6.89 129.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 129.9 nM 6.89 Inhibition of JAK2 23127890

Literature References

PubMed DOI Target Context # Activities
23127890 10.1016/j.bmcl.2012.10.007 Tyrosine-protein kinase JAK2 3
23127890 10.1016/j.bmcl.2012.10.007 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine