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Compound Detail

CHEMBL5841556

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Cc1ncc(-c2cnc3ccccn23)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

Basic Information

ChEMBL ID CHEMBL5841556
Phase Preclinical
Structure Type MOL
InChI Key XGQGIWKQSGHGHX-MOPGFXCFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.83
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N5O
MW 407.48
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 10.22 10.22 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine