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Compound Detail

CHEMBL207375

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Cn1cc(-c2ccoc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL207375
Phase Preclinical
Structure Type MOL
InChI Key UFMJKAKKDCGNEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
3.44
ALogP
2
HBA
0
HBD
18.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO
MW 197.24
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.22

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 5.21 5.21 6210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inosine-5'-monophosphate dehydrogenase 2 IC50 = 6210.0 nM 5.21 Inhibition of IMPDH2 16483769

Literature References

PubMed DOI Target Context # Activities
16483769 10.1016/j.bmcl.2006.01.089 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine