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Compound Detail

CHEMBL5795042

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Cc1ncc(-c2ccc(C(C)O)cc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

Basic Information

ChEMBL ID CHEMBL5795042
Phase Preclinical
Structure Type MOL
InChI Key RDBDUSZIRNRPRY-JLYBBMSXSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
5.24
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O2
MW 411.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.21

Activity Summary

Ki 2 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 11.0 9.99 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine