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Compound Detail

CHEMBL3925922

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Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3925922
Phase Preclinical
Structure Type MOL
InChI Key QYFKQWAZVKFMEO-UHFFFAOYSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
3.47
ALogP
8
HBA
3
HBD
121.1
PSA (Ų)
0.49
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 C20H20F4N6O2S
MW 484.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.10

Activity Summary

Ki 8 meas. best 10.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 10.85 10.5775 0.0 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 Ki = 0.014 nM 10.85 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.014 nM 10.85 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.014 nM 10.85 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.014 nM 10.85 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.032 nM 10.49 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.032 nM 10.49 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.076 nM 10.12 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -
Serine/threonine-protein kinase pim-1 Ki = 0.076 nM 10.12 PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... -

Data from ChEMBL 36 via Core Engine