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Compound Detail

CHEMBL5746690

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COc1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL5746690
Phase Preclinical
Structure Type MOL
InChI Key PPIPRYWYNCWQHD-CTNGQTDRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.19
ALogP
5
HBA
0
HBD
57.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O2
MW 397.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.35

Activity Summary

Ki 2 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 10.0 9.39 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine