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Compound Detail

CHEMBL3660609

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Nc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL3660609
Phase Preclinical
Structure Type MOL
InChI Key PLJLTHQUVASHMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.45
ALogP
8
HBA
2
HBD
111.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7O
MW 357.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine