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Compound Detail

CHEMBL1738915

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COc1cc(Br)cc2cc(C(=O)O)oc12

Basic Information

ChEMBL ID CHEMBL1738915
Phase Preclinical
Structure Type MOL
InChI Key OEICZFFUNDGUEF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.1
MW (Da)
2.90
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.91
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 C10H7BrO4
MW 271.07
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.04

Activity Summary

IC50 2 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 5.24 5.23 5800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21507633 10.1016/j.bmcl.2011.03.030 Serine/threonine-protein kinase pim-1 1
22339127 10.1021/jm2014698 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine