Compound Detail
CHEMBL235366
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COc1cccc2c1[C@H](Oc1cc(C(=O)N(C)C)cn3c(C)c(C)nc13)[C@@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL235366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BANGIAGKGKLDRC-OXJNMPFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
2.70
ALogP
6
HBA
1
HBD
76.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of H+/K+ ATPase in hog gastric mucosa by competitive binding assay | 17723299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17723299 | 10.1016/j.bmcl.2007.08.003 | No relevant target | 3 |
| 17723299 | 10.1016/j.bmcl.2007.08.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine