Compound Detail
CHEMBL5556620
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CCCNS(=O)(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1
Basic Information
| ChEMBL ID | CHEMBL5556620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUENEYZWSGTTKF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
2.31
ALogP
9
HBA
3
HBD
135.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-arachidonyl glycine receptor CHEMBL2384898 | EC50 | 6.23 | 6.23 | 584.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL6066225 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-arachidonyl glycine receptor | EC50 | = | 584.0 | nM | 6.23 | Agonist activity at human GPR18 expressed in CHO cells assessed as activation by... | 38885438 |
| N-arachidonyl glycine receptor | EC50 | = | 1300.0 | nM | 5.89 | 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