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Compound Detail

CHEMBL5768255

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Cc1nn(-c2cc(Cl)ccc2Cl)c2c1c(=O)[nH]c1ccc(Cl)nc12

Basic Information

ChEMBL ID CHEMBL5768255
Phase Preclinical
Structure Type MOL
InChI Key JPAMGWGKKSMUIN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.6
MW (Da)
4.53
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9Cl3N4O
MW 379.63
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.56

Activity Summary

IC50 2 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.14 7.14 73.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine