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Compound Detail

CHEMBL307678

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CCc1nn(C2CCCC2)c2c1CCN(c1cccc(OC)c1)C2=O

Basic Information

ChEMBL ID CHEMBL307678
Phase Preclinical
Structure Type MOL
InChI Key AUHPGOLYFSHALS-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.77
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O2
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.11

Activity Summary

EC50 1 meas. best 6.48
IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 7.47 7.47 34.0 1
U-937
CHEMBL612794
EC50 6.48 6.48 330.0 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