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Compound Detail

CHEMBL6005436

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COc1ccc(CNc2nc3c(cnn3CC(C)C)c(=O)[nH]2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6005436
Phase Preclinical
Structure Type MOL
InChI Key MAAOYCKVZNJGJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.40
ALogP
7
HBA
2
HBD
94.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O3
MW 357.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
CHEMBL3535
 IC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A IC50 = 43.0 nM 7.37 Inhibition Assay: Inhibition activities of all the N-substituted pyrazolo [3,4-d... -

Data from ChEMBL 36 via Core Engine