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Compound Detail

CHEMBL5408205

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Cc1cnc(Nc2ccc(OCC(=O)NO)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408205
Phase Preclinical
Structure Type MOL
InChI Key ZBIPQDSSOLFVRO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
3.23
ALogP
9
HBA
5
HBD
154.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N6O5S
MW 500.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 8.36 8.36 4.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 4.33 nM 8.36 Inhibition of JAK2 (unknown origin) incubated for 30 mins in presence of ATP by ... 37057760

Literature References

PubMed DOI Target Context # Activities
37057760 10.1021/acs.jmedchem.3c00036 Tyrosine-protein kinase JAK2 1

Data from ChEMBL 36 via Core Engine