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Compound Detail

CHEMBL255719

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CCCNc1nc2c(s1)C(=O)N(c1cc(C(=O)NC)ccc1C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255719
Phase Preclinical
Structure Type MOL
InChI Key AFBREGDWOIYTHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.79
ALogP
5
HBA
2
HBD
74.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O2S
MW 344.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 270.0 nM 6.57 Inhibition of human p38alpha 18313298

Literature References

PubMed DOI Target Context # Activities
18313298 10.1016/j.bmcl.2008.02.031 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine