Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL346406

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C#CCO)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346406
Phase Preclinical
Structure Type MOL
InChI Key QNQUCAXGTRFYJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.3
MW (Da)
3.69
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F3N2O2
MW 370.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 1/cyclin B
CHEMBL2094127
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 1/cyclin B IC50 = 300.0 nM 6.52 Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes 10741555

Literature References

PubMed DOI Target Context # Activities
10741555 10.1016/s0960-894x(00)00048-2 Cyclin-dependent kinase 1/cyclin B 1
10741555 10.1016/s0960-894x(00)00048-2 HCT-116 1
10741555 10.1016/s0960-894x(00)00048-2 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine