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Compound Detail

CHEMBL2376928

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O=C(NCCN1CCOCC1)c1cc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)ccn1

Basic Information

ChEMBL ID CHEMBL2376928
Phase Preclinical
Structure Type MOL
InChI Key LARBATGPSUALDD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

511.4
MW (Da)
4.53
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24Cl2N6O2
MW 511.41
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.92

Activity Summary

IC50 2 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase p38
CHEMBL2094115
IC50 6.32 6.32 480.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 8 1
23518277 10.1016/j.bmcl.2013.02.082 Unchecked 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 10 1
23518277 10.1016/j.bmcl.2013.02.082 MAP kinase p38 1

Data from ChEMBL 36 via Core Engine