Compound Detail
CHEMBL6021729
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Cc1ncc(-c2ccc(C(C)(C)O)nc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
Basic Information
| ChEMBL ID | CHEMBL6021729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFLYFNVDNXIMHM-UXHICEINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.81
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 10.7 | 10.7 | 0.0 | 1 |
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 | = | 0.02 | nM | 10.7 | Fluorescence Polarization Assay: The fluorescence polarization assay for cyclic ... | - |
Data from ChEMBL 36 via Core Engine