Compound Detail
CHEMBL2311901
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Basic Information
| ChEMBL ID | CHEMBL2311901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRHUQCFZMPCIDO-LICLKQGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.29
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | EC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human HCT116 p53 +/+ and -/- cells after 72 hrs by MTT assa... | 23306052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23306052 | 10.1016/j.bmc.2012.12.012 | Unchecked | 1 |
| 23306052 | 10.1016/j.bmc.2012.12.012 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine