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Compound Detail

CHEMBL6053246

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Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(C)O)nc2)nc1

Basic Information

ChEMBL ID CHEMBL6053246
Phase Preclinical
Structure Type MOL
InChI Key OIDDHCKMNIDRIN-QIWLAUOQSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.79
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O2
MW 376.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.25

Activity Summary

Ki 3 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.85 9.4933 0.1 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine