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Compound Detail

CHEMBL332624

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CCCc1c(OCc2ccc3c(c2)OCO3)ccc2c(=O)cc(C(=O)O)oc12

Basic Information

ChEMBL ID CHEMBL332624
Phase Preclinical
Structure Type MOL
InChI Key QUVFGAGAYBEYGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.75
ALogP
6
HBA
1
HBD
95.2
PSA (Ų)
0.69
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 C21H18O7
MW 382.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.24

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8254606 10.1021/jm00076a003 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine