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Compound Detail

CHEMBL160847

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CN(Cc1ccccc1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2

Basic Information

ChEMBL ID CHEMBL160847
Phase Preclinical
Structure Type MOL
InChI Key ULFBYLWJDCVFRO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
4.83
ALogP
5
HBA
1
HBD
75.1
PSA (Ų)
0.48
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 C27H23N3O4
MW 453.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase Ki = 11.0 nM 7.96 Inhibitory activity against human Phosphodiesterase 5 14736245

Literature References

PubMed DOI Target Context # Activities
14736245 10.1021/jm020521s cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine