Compound Detail
CHEMBL185717
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Basic Information
| ChEMBL ID | CHEMBL185717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNPQLUAPJNFFBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.36
ALogP
6
HBA
0
HBD
58.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MKN-45 CHEMBL614354 | IC50 | 5.39 | 5.39 | 4074.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MKN-45 | IC50 | = | 4074.0 | nM | 5.39 | Concentration required for the 50% inhibition of human stomach cancer (MKN45) ce... | 15293996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15293996 | 10.1021/jm049802l | NUGC-3 | 1 |
| 15293996 | 10.1021/jm049802l | MKN-45 | 1 |
| 15293996 | 10.1021/jm049802l | MES-SA | 1 |
| 15293996 | 10.1021/jm049802l | A549 | 1 |
| 15293996 | 10.1021/jm049802l | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine