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Compound Detail

CHEMBL3691392

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Cc1nc2c(s1)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2

Basic Information

ChEMBL ID CHEMBL3691392
Phase Preclinical
Structure Type MOL
InChI Key OIJMEJHVROTLNO-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
2.26
ALogP
8
HBA
0
HBD
68.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6OS
MW 356.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine