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Compound Detail

CHEMBL5992443

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Cc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H]2C[C@H]2c2ccc3c(n2)CCC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5992443
Phase Preclinical
Structure Type MOL
InChI Key AKELEHXXIQFOQF-ZMKYACIDSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.31
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O2
MW 405.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.54

Activity Summary

Ki 4 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
 Ki 10.4 9.2625 0.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Ki = 0.04 nM 10.4 Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... -
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Ki = 0.05 nM 10.3 Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... -
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Ki = 5.44 nM 8.26 Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... -
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Ki = 8.11 nM 8.09 Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... -

Data from ChEMBL 36 via Core Engine