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Compound Detail

CHEMBL24737

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COc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1-c1cnco1

Basic Information

ChEMBL ID CHEMBL24737
Phase Preclinical
Structure Type MOL
InChI Key UKWZOWCEYYIFMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.32
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O4
MW 351.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inosine-5'-monophosphate dehydrogenase 2 IC50 = 400.0 nM 6.4 Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 11965381

Literature References

PubMed DOI Target Context # Activities
11965381 10.1016/s0960-894x(02)00132-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine