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Compound Detail

CHEMBL1783497

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C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2csc(C)n2)CC1

Basic Information

ChEMBL ID CHEMBL1783497
Phase Preclinical
Structure Type MOL
InChI Key QOCVFDFVIYEUGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.9
MW (Da)
3.67
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.81
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 C18H21ClN4OS
MW 376.91
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 10 1
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine