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Compound Detail

CHEMBL67418

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O=c1c2ccc(Cl)cc2ncn1Cc1ccc2c(c1)OCO2

Basic Information

ChEMBL ID CHEMBL67418
Phase Preclinical
Structure Type MOL
InChI Key NLHNPDNGRZRUAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.7
MW (Da)
2.83
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClN2O3
MW 314.73
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.06 5.06 8700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8027992 10.1021/jm00039a024 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine