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Compound Detail

CHEMBL3660622

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CCc1ccc(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc1

Basic Information

ChEMBL ID CHEMBL3660622
Phase Preclinical
Structure Type MOL
InChI Key BQEITPRBALFOBQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.86
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
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 -1.09

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine