Compound Detail
CHEMBL153052
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Basic Information
| ChEMBL ID | CHEMBL153052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWQSWLMEYHNEJW-GFCCVEGCSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.09
ALogP
6
HBA
1
HBD
65.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-7951 CHEMBL612447 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| P388 CHEMBL389 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| KB CHEMBL398 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| TE-671 CHEMBL615012 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-7951 | IC50 | = | 134.0 | nM | 6.87 | Antiproliferative activity against human RPMI-7951 cells incubated for 36 hrs | 32432867 |
| KB | IC50 | = | 144.0 | nM | 6.84 | Antiproliferative activity against human KB cells incubated for 36 hrs | 32432867 |
| P388 | IC50 | = | 144.0 | nM | 6.84 | Antiproliferative activity against mouse P388 cells incubated for 36 hrs | 32432867 |
| HCT-8 | IC50 | = | 160.0 | nM | 6.8 | Antiproliferative activity against human HCT-8 cells incubated for 36 hrs | 32432867 |
| A549 | IC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human A549 cells incubated for 36 hrs | 32432867 |
| TE-671 | IC50 | = | 1320.0 | nM | 5.88 | Antiproliferative activity against human TE-671 cells incubated for 36 hrs | 32432867 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of bovine brain tubulin polymerization preincubated for 15 mins follo... | 32432867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32432867 | 10.1021/acs.jmedchem.0c00222 | Unchecked | 2 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | KB | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | P388 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | A549 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | RPMI-7951 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | HCT-8 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | TE-671 | 1 |
Data from ChEMBL 36 via Core Engine