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Compound Detail

CHEMBL360675

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Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

Basic Information

ChEMBL ID CHEMBL360675
Phase Preclinical
Structure Type MOL
InChI Key LRDLFKVCAQLFQM-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.37
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.69
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 C23H28N6O
MW 404.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.21

Activity Summary

IC50 4 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
IC50 8.15 8.0 7.0 2
Cyclin-dependent kinase 4/cyclin D
CHEMBL2095942
IC50 7.85 7.85 14.0 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 5.97 5.97 1078.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15993068 10.1016/j.bmcl.2005.05.131 No relevant target 2
15993068 10.1016/j.bmcl.2005.05.131 Cyclin-dependent kinase 1/cyclin B1 1
15993068 10.1016/j.bmcl.2005.05.131 Unchecked 1
15993068 10.1016/j.bmcl.2005.05.131 Cyclin-dependent kinase 2/cyclin E1 1
15993068 10.1016/j.bmcl.2005.05.131 Cyclin-dependent kinase 4/cyclin D1 1
15801830 10.1021/jm049355+ Cyclin-dependent kinase 4/cyclin D 1
15801830 10.1021/jm049355+ Cyclin-dependent kinase 1/cyclin B 1
15801830 10.1021/jm049355+ Cyclin-dependent kinase 2/cyclin A 1
15801830 10.1021/jm049355+ Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine