Compound Detail
CHEMBL373587
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Basic Information
| ChEMBL ID | CHEMBL373587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCQWADYRINMUHR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.32
ALogP
6
HBA
0
HBD
83.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-87 MG CHEMBL614247 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative activity against human U87 MG cell line | 16793260 |
| DLD-1 | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative activity against human DLD1 cell line | 16793260 |
| HUVEC | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against HUVEC cell line | 16793260 |
| HeLa | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against human HeLa cell line | 16793260 |
| NIH3T3 | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against mouse NIH3T3 cell line | 16793260 |
| B16 | IC50 | = | 5600.0 | nM | 5.25 | Antiproliferative activity against mouse B16 cell line | 16793260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16793260 | 10.1016/j.bmcl.2006.06.007 | U-87 MG | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | B16 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | HeLa | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | DLD-1 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | SiHa | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | NIH3T3 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine