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Compound Detail

CHEMBL5409262

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O=C(O)c1cc2c(ccc3cc4cc5c(C(=O)O)coc5cc4cc32)o1

Basic Information

ChEMBL ID CHEMBL5409262
Phase Preclinical
Structure Type MOL
InChI Key LCOVSYDTOHZUSS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
4.88
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H10O6
MW 346.29
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness 0.44

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 7.7 7.7 20.0 1
Casein kinase 2
CHEMBL3832943
IC50 7.2 7.2 63.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 20.0 nM 7.7 Inhibition of PIM1 (unknown origin) 36745746
Casein kinase 2 IC50 = 63.0 nM 7.2 Inhibition of CK2 (unknown origin) 36745746

Literature References

PubMed DOI Target Context # Activities
36745746 10.1021/acs.jmedchem.2c01523 Casein kinase 2 1
36745746 10.1021/acs.jmedchem.2c01523 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine