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Compound Detail

CHEMBL6045583

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COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C3(O)COC3)nc2)nc1

Basic Information

ChEMBL ID CHEMBL6045583
Phase Preclinical
Structure Type MOL
InChI Key REBJBGDEQMQPSF-AEFFLSMTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.65
ALogP
8
HBA
1
HBD
99.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O4
MW 420.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.16

Activity Summary

Ki 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine