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Compound Detail

CHEMBL6062710

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CCCCOc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(CN(C)C)cc4n23)c1

Basic Information

ChEMBL ID CHEMBL6062710
Phase Preclinical
Structure Type MOL
InChI Key LFPMUKYZLLOJCK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
5.15
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26ClN5O
MW 423.95
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.60

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.96 7.96 11.0 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine