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Compound Detail

CHEMBL1783593

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CCc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1

Basic Information

ChEMBL ID CHEMBL1783593
Phase Preclinical
Structure Type MOL
InChI Key SGKOQVKJURANLQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.75
ALogP
5
HBA
1
HBD
63.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.45

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.0 6.0 1000.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
IC50 5.85 5.85 1400.0 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