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Compound Detail

CHEMBL5802405

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Cc1cccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C(C)(C)O)nc2)n1

Basic Information

ChEMBL ID CHEMBL5802405
Phase Preclinical
Structure Type MOL
InChI Key SUUNYNWAEQWMHC-MSOLQXFVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.96
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2
MW 390.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.41

Activity Summary

Ki 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.7 8.765 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine