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Compound Detail

CHEMBL3660546

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COc1ncccc1-c1cccnc1Oc1ccc(Nc2ccccn2)cc1

Basic Information

ChEMBL ID CHEMBL3660546
Phase Preclinical
Structure Type MOL
InChI Key LEORVLZLCOYRDC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
5.08
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.51
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 C22H18N4O2
MW 370.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine