Compound Detail
CHEMBL342703
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
OC(CSc1[nH]cnc2ncnc1-2)CN1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL342703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJEIDQVRACLRFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
618.4
MW (Da)
4.69
ALogP
7
HBA
2
HBD
81.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 470.0 | nM | 6.33 | Relative change in CF was determined by calculating the effective concentration ... | 1335073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1335073 | 10.1021/jm00102a001 | Canis familiaris | 5 |
| 1335073 | 10.1021/jm00102a001 | NON-PROTEIN TARGET | 1 |
| 1335073 | 10.1021/jm00102a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine