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Compound Detail

CHEMBL3660644

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Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)C(C)C)CC3)cc2)nc1

Basic Information

ChEMBL ID CHEMBL3660644
Phase Preclinical
Structure Type MOL
InChI Key FARYSMHUCWCRNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.08
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O2
MW 431.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 10.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 10.26 10.26 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine