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Compound Detail

CHEMBL3323320

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CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)C(c2ccc(O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3323320
Phase Preclinical
Structure Type MOL
InChI Key WYKVOSKSLKUTPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.44
ALogP
4
HBA
2
HBD
73.1
PSA (Ų)
0.87
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 C20H22N2O3
MW 338.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 2100.0 nM 5.68 Fluorescence Polarization Assay: PDE activity was measured using the IMAP fluore... -

Literature References

PubMed DOI Target Context # Activities
25058929 10.1021/jm500521n Protein kinase C zeta type 4
25058929 10.1021/jm500521n RAW264.7 1

Data from ChEMBL 36 via Core Engine