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Compound Detail

CHEMBL3943301

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CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3943301
Phase Preclinical
Structure Type MOL
InChI Key VSNMUUOHBUNKOQ-UHFFFAOYSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.70
ALogP
5
HBA
4
HBD
108.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O
MW 350.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.35

Activity Summary

IC50 9 meas. best 9.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 9.54 9.3467 0.3 6
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 9.52 9.0667 0.3 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 0.289 nM 9.54 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-1 IC50 = 0.289 nM 9.54 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-2 IC50 = 0.305 nM 9.52 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-1 IC50 = 0.4 nM 9.4 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-1 IC50 = 0.4 nM 9.4 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-2 IC50 = 0.429 nM 9.37 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-1 IC50 = 0.791 nM 9.1 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-1 IC50 = 0.791 nM 9.1 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -
Serine/threonine-protein kinase pim-2 IC50 = 4.9 nM 8.31 Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... -

Data from ChEMBL 36 via Core Engine