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Compound Detail

CHEMBL5897423

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Cc1ncc(-c2cccnc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

Basic Information

ChEMBL ID CHEMBL5897423
Phase Preclinical
Structure Type MOL
InChI Key CWMIVCRPGPZAHE-MOPGFXCFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.58
ALogP
5
HBA
0
HBD
60.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O
MW 368.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.53

Activity Summary

Ki 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine