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Compound Detail

CHEMBL6057423

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CCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(C)(C)O)nc2)nc1

Basic Information

ChEMBL ID CHEMBL6057423
Phase Preclinical
Structure Type MOL
InChI Key DBZCBAVXZUHVOJ-MOPGFXCFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.21
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O2
MW 404.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.24

Activity Summary

Ki 2 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 10.3 9.26 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine