Compound Detail
CHEMBL5268340
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CC([18F])C(=O)N1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5268340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWONINZVPVTBGN-FMLNDMEQSA-N |
| Parent Compound | CHEMBL5315201 |
| Active Moiety | CHEMBL5315201 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
4.44
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.89
Kd 1 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Kd | 9.36 | 9.36 | 0.4 | 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 | = | 0.13 | nM | 9.89 | Inhibition of PDE10A (unknown origin) | 34042442 |
| Unchecked | Kd | = | 0.44 | nM | 9.36 | In vivo binding affinity to baboon PDE10A | 33581555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34042442 | 10.1021/acs.jmedchem.1c00115 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 33581555 | 10.1016/j.ejmech.2021.113155 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine