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Compound Detail

CHEMBL214838

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CN1CCN(c2ccc(Nc3ncc(C(=O)c4cccc(C(F)(F)F)c4)c(N)n3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214838
Phase Preclinical
Structure Type MOL
InChI Key JZQTULHGDHUQDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
3.80
ALogP
7
HBA
2
HBD
87.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N6O
MW 456.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
17064073 10.1021/jm0606138 Cyclin-dependent kinase 4/cyclin D1 1
17064073 10.1021/jm0606138 Cyclin-dependent kinase 1 1
17064073 10.1021/jm0606138 Cyclin-dependent kinase 2 1
17064073 10.1021/jm0606138 HCT-116 1

Data from ChEMBL 36 via Core Engine