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Compound Detail

CHEMBL2376918

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O=C(NCCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4F)ccc32)c1

Basic Information

ChEMBL ID CHEMBL2376918
Phase Preclinical
Structure Type MOL
InChI Key BWKUHMBVECQFLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
4.36
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FN5O2
MW 473.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 7.66 7.66 22.0 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

Data from ChEMBL 36 via Core Engine