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

CHEMBL3355545

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
C[C@]1(O)CC[C@H](Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3355545
Phase Preclinical
Structure Type MOL
InChI Key GTLGXHRGQKIRAJ-QUWSVYMGSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
4.40
ALogP
6
HBA
2
HBD
71.7
PSA (Ų)
0.67
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 C20H21F3N4O2
MW 406.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.81

Activity Summary

IC50 7 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 6.71 6.71 197.0 6
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 5.69 5.69 2040.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detecti... 25589932
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... -
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... -
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... -
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase activity ... -
Serine/threonine-protein kinase pim-1 IC50 = 197.0 nM 6.71 Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... -
Serine/threonine-protein kinase pim-2 IC50 = 2040.0 nM 5.69 Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detecti... 25589932

Literature References

PubMed DOI Target Context # Activities
25589932 10.1021/ml500300c Serine/threonine-protein kinase pim-2 1
25589932 10.1021/ml500300c Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine