Compound Detail
CHEMBL5556254
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Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(Cl)cc2)n(CCF)c1=O
Basic Information
| ChEMBL ID | CHEMBL5556254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROZBFFJUROYBQI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
3.70
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-arachidonyl glycine receptor CHEMBL2384898 | EC50 | 6.46 | 6.46 | 351.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL6066225 | EC50 | 6.4 | 6.4 | 398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-arachidonyl glycine receptor | EC50 | = | 351.0 | nM | 6.46 | Agonist activity at human GPR18 expressed in CHO cells assessed as activation by... | 38885438 |
| N-arachidonyl glycine receptor | EC50 | = | 398.0 | nM | 6.4 | Agonist activity at mouse GPR18 expressed in CHO cells assessed as activation by... | 38885438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38885438 | 10.1021/acs.jmedchem.3c02423 | N-arachidonyl glycine receptor | 4 |
Data from ChEMBL 36 via Core Engine