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Compound Detail

CHEMBL367083

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COCc1nc2cc3c(=O)n(C)c(=O)n(CC(C)C)c3cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367083
Phase Preclinical
Structure Type MOL
InChI Key HLHFDFLCZHJVPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
1.38
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.79
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 C16H20N4O3
MW 316.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 1
CHEMBL2095150
 IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 1 IC50 = 36000.0 nM 4.44 Inhibition of Calmodulin Sensitive Phosphodiesterase 1 from pig coronary artery 2423691

Literature References

PubMed DOI Target Context # Activities
2423691 10.1021/jm00156a013 Phosphodiesterase 1 1
2423691 10.1021/jm00156a013 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine