Compound Detail
CHEMBL4853154
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Basic Information
| ChEMBL ID | CHEMBL4853154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZKGLAYWSVEGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.35
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.05 | 6.05 | 882.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 882.0 | nM | 6.05 | Antiproliferative activity against human HCT116 cells incubated for 72 hrs by MT... | 34648295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34648295 | 10.1021/acs.jmedchem.1c01451 | Tubulin | 3 |
| 34648295 | 10.1021/acs.jmedchem.1c01451 | HCT-116 | 1 |
| 34648295 | 10.1021/acs.jmedchem.1c01451 | A2780S | 1 |
| 34648295 | 10.1021/acs.jmedchem.1c01451 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine