Compound Detail
CHEMBL5558336
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CCCNC(=O)c1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1
Basic Information
| ChEMBL ID | CHEMBL5558336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJYZZHZHMUPNEH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
2.76
ALogP
8
HBA
3
HBD
118.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-arachidonyl glycine receptor CHEMBL6066225 | EC50 | 5.9 | 5.9 | 1270.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL2384898 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-arachidonyl glycine receptor | EC50 | = | 1270.0 | nM | 5.9 | Agonist activity at mouse GPR18 expressed in CHO cells assessed as activation by... | 38885438 |
| N-arachidonyl glycine receptor | EC50 | = | 1410.0 | nM | 5.85 | Agonist activity at human 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