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Compound Detail

CHEMBL374207

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CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374207
Phase Preclinical
Structure Type MOL
InChI Key WVBIMCBCDDEUIR-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.62
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.78
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 C18H17FN2O
MW 296.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.30

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
16750360 10.1016/j.bmcl.2006.05.065 Cyclin-dependent kinase 2/cyclin A 1
16750360 10.1016/j.bmcl.2006.05.065 PC-3 1
16750360 10.1016/j.bmcl.2006.05.065 Calu-1 1
16750360 10.1016/j.bmcl.2006.05.065 A549 1
16750360 10.1016/j.bmcl.2006.05.065 LS174T 1
16750360 10.1016/j.bmcl.2006.05.065 Calf thymus DNA 1
16750360 10.1016/j.bmcl.2006.05.065 Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine