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Compound Detail

CHEMBL5951992

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O=c1[nH]c(NCc2cccc(Cl)c2)nc2c1cnn2C1CCCCC1

Basic Information

ChEMBL ID CHEMBL5951992
Phase Preclinical
Structure Type MOL
InChI Key TZAZDQKTRYJATF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.9
MW (Da)
3.89
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20ClN5O
MW 357.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
CHEMBL3535
IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine