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Compound Detail

CHEMBL5814186

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CCCCOc1ccc(Cl)c(-n2nc(C)c3c(=O)[nH]c4cccnc4c32)c1

Basic Information

ChEMBL ID CHEMBL5814186
Phase Preclinical
Structure Type MOL
InChI Key WULNWHUMCHVZIE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
4.40
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN4O2
MW 382.85
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.55 7.55 28.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine