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Compound Detail

CHEMBL5996245

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Cc1ncc(-c2cncnc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

Basic Information

ChEMBL ID CHEMBL5996245
Phase Preclinical
Structure Type MOL
InChI Key DBDHUTYWCYBTDK-AEFFLSMTSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.97
ALogP
6
HBA
0
HBD
73.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O
MW 369.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.52

Activity Summary

Ki 2 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 10.1 9.38 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine