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Compound Detail

CHEMBL2089252

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CCOc1nc(NCCc2ccccc2)cc(N)c1C#N

Basic Information

ChEMBL ID CHEMBL2089252
Phase Preclinical
Structure Type MOL
InChI Key ZCRBGKLRDJDKNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.59
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.85
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 C16H18N4O
MW 282.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small ribosomal subunit protein eS27
CHEMBL1932893
IC50 5.4 5.4 3970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900510 10.1021/ml3000879 Small ribosomal subunit protein eS27 1
24900510 10.1021/ml3000879 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine