Compound Detail
CHEMBL236776
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Basic Information
| ChEMBL ID | CHEMBL236776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNPDWGXMXKPEKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.89
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 830.0 | nM | 6.08 | Antiproliferative activity against human K562 cells after 48 hrs | 17973361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17973361 | 10.1021/jm0708984 | K562 | 1 |
| 17973361 | 10.1021/jm0708984 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine