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

CHEMBL3976267

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
Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CCC3C)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3976267
Phase Preclinical
Structure Type MOL
InChI Key YBENUWLHUXAJFZ-UHFFFAOYSA-N
3
Targets
15
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.90
ALogP
8
HBA
1
HBD
98.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N8
MW 400.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.02

Activity Summary

Ki 12 meas. best 10.8
IC50 3 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-3
CHEMBL5407
 Ki 10.8 10.5933 0.0 3
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 10.55 10.52 0.0 6
Serine/threonine-protein kinase pim-2
CHEMBL4523
 Ki 9.96 9.59 0.1 3
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 6.66 6.4367 219.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-3 Ki = 0.016 nM 10.8 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.028 nM 10.55 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.028 nM 10.55 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.03 nM 10.52 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-3 Ki = 0.03 nM 10.52 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.03 nM 10.52 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.032 nM 10.49 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 Ki = 0.032 nM 10.49 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-3 Ki = 0.035 nM 10.46 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-2 Ki = 0.109 nM 9.96 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-2 Ki = 0.204 nM 9.69 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-2 Ki = 0.761 nM 9.12 Kinase Binding Assay: PIM-1, -2, and -3 enzymes were generated as fusion protein... -
Serine/threonine-protein kinase pim-1 IC50 = 219.0 nM 6.66 In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... -
Serine/threonine-protein kinase pim-1 IC50 = 336.0 nM 6.47 In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... -
Serine/threonine-protein kinase pim-1 IC50 = 663.0 nM 6.18 In Vitro Cell Proliferation Potency Assay: BaF3, a murine interleukin-3 dependen... -

Data from ChEMBL 36 via Core Engine