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Compound Detail

CHEMBL3660581

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c1ccc(Nc2ccc(Oc3ncccc3-c3cccc4ncccc34)cc2)nc1

Basic Information

ChEMBL ID CHEMBL3660581
Phase Preclinical
Structure Type MOL
InChI Key PZMOAQJHMKVTCJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
6.23
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18N4O
MW 390.45
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.02

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