Compound Detail
CHEMBL3265381
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COc1ccc(Cn2c(NCCNC(=N)N)nc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3265381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONQGUVFIDIYKSA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
0.31
ALogP
10
HBA
4
HBD
183.2
PSA (Ų)
0.11
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | EC50 | 10.32 | 10.32 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 0.048 | nM | 10.32 | Analgesic activity in C57Bl/6 mouse assessed as inhibition of Bv8-induced decrea... | 24852280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24852280 | 10.1016/j.ejmech.2014.05.030 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine