Compound Detail
CHEMBL5281567
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[11CH3]N(c1cc(N2CC[C@@H](F)C2)nc2cc(-c3cnc4c(n3)CCCC4)nn12)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL5281567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNRPQGUCPDTACZ-XNJXNPSASA-N |
| Parent Compound | CHEMBL5315884 |
| Active Moiety | CHEMBL5315884 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
3.23
ALogP
8
HBA
0
HBD
71.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 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 | IC50 | 10.22 | 10.22 | 0.1 | 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 | IC50 | = | 0.06 | nM | 10.22 | Inhibition of PDE10A (unknown origin) | 34042442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34042442 | 10.1021/acs.jmedchem.1c00115 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 34042442 | 10.1021/acs.jmedchem.1c00115 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine