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Compound Detail

CHEMBL267386

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Cn1cc(C2=C(c3cn(CCCN=C(N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL267386
Phase Preclinical
Structure Type MOL
InChI Key MFBWLCFHQHKTBP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
2.36
ALogP
5
HBA
3
HBD
120.4
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N6O2
MW 440.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.23

Activity Summary

IC50 2 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 7.72 7.72 19.0 1
Unchecked
CHEMBL612545
IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1552513 10.1021/jm00084a004 Protein kinase C (PKC) 1
1552513 10.1021/jm00084a004 Unchecked 1

Data from ChEMBL 36 via Core Engine