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

CHEMBL5570349

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
NCCN1CCN(CCN2c3ccncc3Oc3ccc(Br)cc32)CC1

Basic Information

ChEMBL ID CHEMBL5570349
Phase Preclinical
Structure Type MOL
InChI Key QOVWSBPGVCDKHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.3
MW (Da)
2.66
ALogP
6
HBA
1
HBD
57.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BrN5O
MW 418.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 0.9 nM 9.05 Inhibition of PIM1 (unknown origin) 38164076

Literature References

PubMed DOI Target Context # Activities
38164076 10.1021/acs.jmedchem.3c01802 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine