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

CHEMBL2030387

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
N[C@H]1CCN(Cc2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030387
Phase Preclinical
Structure Type MOL
InChI Key HNIDDGUBRPIXPG-VIFPVBQESA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)
1.96
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.73
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 C15H15BrN4O2
MW 363.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.15

Activity Summary

IC50 8 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 8.42 8.41 3.8 2
Cell division cycle 7-related protein kinase
CHEMBL5443
 IC50 8.0 7.1 10.0 2
Serine/threonine-protein kinase pim-3
CHEMBL5407
 IC50 7.96 7.96 11.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 7.31 7.31 49.0 1
Casein kinase II alpha'/ beta
CHEMBL3883328
 IC50 7.17 7.17 68.0 1
Casein kinase II alpha/beta
CHEMBL3038477
 IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 3.8 nM 8.42 Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli usi... 22560567
Serine/threonine-protein kinase pim-1 IC50 = 4.0 nM 8.4 Inhibition of N-terminal His-tagged human PIM1 expressed in Escherichia coli usi... 22542012
Cell division cycle 7-related protein kinase IC50 = 10.0 nM 8.0 Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by ... 22560567
Serine/threonine-protein kinase pim-3 IC50 = 11.0 nM 7.96 Inhibition of N-terminal His-tagged human PIM3 expressed in Escherichia coli usi... 22542012
Serine/threonine-protein kinase pim-2 IC50 = 49.0 nM 7.31 Inhibition of N-terminal His-tagged human PIM2 expressed in Escherichia coli usi... 22542012
Casein kinase II alpha'/ beta IC50 = 68.0 nM 7.17 Inhibition of N-terminal MBP-tagged human alpha2beta2 CK2 expressed in Escherich... 22542012
Casein kinase II alpha/beta IC50 = 70.0 nM 7.16 Inhibition of human tertrameric CK2alphabeta holoenzyme using casein as substrat... 22560567
Cell division cycle 7-related protein kinase IC50 = 625.0 nM 6.2 Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 pho... 22560567

Literature References

PubMed DOI Target Context # Activities
22560567 10.1016/j.bmcl.2012.04.024 Cell division cycle 7-related protein kinase 2
22560567 10.1016/j.bmcl.2012.04.024 Casein kinase II alpha/beta 1
22560567 10.1016/j.bmcl.2012.04.024 Serine/threonine-protein kinase pim-1 1
22542012 10.1016/j.bmcl.2012.04.025 Serine/threonine-protein kinase pim-1 1
22542012 10.1016/j.bmcl.2012.04.025 Serine/threonine-protein kinase pim-2 1
22542012 10.1016/j.bmcl.2012.04.025 Serine/threonine-protein kinase pim-3 1
22542012 10.1016/j.bmcl.2012.04.025 Casein kinase II alpha'/ beta 1
22542012 10.1016/j.bmcl.2012.04.025 MDCK 1

Data from ChEMBL 36 via Core Engine