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Compound Detail

CHEMBL1914609

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CCCCOc1ccc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n[nH]2)cc1OC

Basic Information

ChEMBL ID CHEMBL1914609
Phase Preclinical
Structure Type MOL
InChI Key JDPMFNCGWIHFRK-JMQWPVDRSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.65
ALogP
5
HBA
2
HBD
76.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O4
MW 420.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.07

Activity Summary

EC50 3 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
EC50 4.8 4.8 15840.0 1
Protein kinase C epsilon type
CHEMBL3582
EC50 4.79 4.79 16090.0 1
Protein kinase C delta type
CHEMBL2996
EC50 4.67 4.67 21640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21975067 10.1016/j.bmc.2011.09.011 Protein kinase C delta type 1
21975067 10.1016/j.bmc.2011.09.011 Protein kinase C epsilon type 1
21975067 10.1016/j.bmc.2011.09.011 Protein kinase C theta type 1

Data from ChEMBL 36 via Core Engine