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Compound Detail

CHEMBL5875156

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

Basic Information

ChEMBL ID CHEMBL5875156
Phase Preclinical
Structure Type MOL
InChI Key RIDZVINUIPDLCQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.0
MW (Da)
5.58
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28ClN5O
MW 437.98
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.35 7.35 45.0 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine