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Compound Detail

CHEMBL5907210

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CCCCOc1ccc(Cl)c(-n2nc(C)c3c(=O)[nH]c4ccc(OC)nc4c32)c1

Basic Information

ChEMBL ID CHEMBL5907210
Phase Preclinical
Structure Type MOL
InChI Key ADLCWVHLMIIJGW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.41
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN4O3
MW 412.88
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.47

Activity Summary

IC50 2 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 8.03 8.03 9.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine