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Compound Detail

CHEMBL6010607

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CCNCc1ccc2nc(C)c3nnc(-c4cc(OC(C)C)ccc4Cl)n3c2c1

Basic Information

ChEMBL ID CHEMBL6010607
Phase Preclinical
Structure Type MOL
InChI Key PKCYMHQCHPYQET-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
4.80
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN5O
MW 409.92
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.52

Activity Summary

IC50 2 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.34 7.34 46.0 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 5.07 5.07 8500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine