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Compound Detail

CHEMBL173998

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CC(C)CCn1c(=O)c2cc3nc[nH]c3cc2n(CC(C)C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173998
Phase Preclinical
Structure Type MOL
InChI Key FOGAXVRQNJJBOW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.74
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
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 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase IC50 = 20000.0 nM 4.7 Inhibition of Phosphodiesterase 2 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