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Compound Detail

CHEMBL5795614

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CC(C)Cn1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21

Basic Information

ChEMBL ID CHEMBL5795614
Phase Preclinical
Structure Type MOL
InChI Key FGCHVGWAVWCDKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
3.04
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18ClN5O
MW 331.81
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
CHEMBL3535
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine