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Compound Detail

CHEMBL75722

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CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(C)c1)C2=O

Basic Information

ChEMBL ID CHEMBL75722
Phase Preclinical
Structure Type MOL
InChI Key OATHQRZSVDHXRZ-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.09
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FN3O
MW 349.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.61

Activity Summary

EC50 1 meas. best 6.11
IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 6.57 6.57 270.0 1
U-937
CHEMBL612794
EC50 6.11 6.11 780.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9632360 10.1021/jm9800090 Phosphodiesterase 4 1
9632360 10.1021/jm9800090 U-937 1

Data from ChEMBL 36 via Core Engine