Compound Detail
CHEMBL5556617
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL5556617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPGYRUGRVHDXML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
2.53
ALogP
9
HBA
2
HBD
132.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-arachidonyl glycine receptor CHEMBL2384898 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL6066225 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-arachidonyl glycine receptor | EC50 | = | 42.0 | nM | 7.38 | Agonist activity at human GPR18 expressed in CHO cells assessed as activation by... | 38885438 |
| N-arachidonyl glycine receptor | EC50 | = | 280.0 | nM | 6.55 | 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