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Compound Detail

CHEMBL175132

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CC(C)Cn1c(=O)n(C)c(=O)c2cc3[nH]c(C(C)(C)C)nc3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175132
Phase Preclinical
Structure Type MOL
InChI Key AHNYKUGKHCNIEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.53
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.79
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 C18H24N4O2
MW 328.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 1
CHEMBL2095150
 IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 1 IC50 = 41000.0 nM 4.39 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