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Compound Detail

CHEMBL5817555

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CCCCOc1ccc(Cl)c(-c2nnc3c(C)nc4ccccc4n23)c1

Basic Information

ChEMBL ID CHEMBL5817555
Phase Preclinical
Structure Type MOL
InChI Key ITEIGISUTJIFPA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.9
MW (Da)
5.09
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN4O
MW 366.85
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.48

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 8.52 8.52 3.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine