Compound Detail
CHEMBL503357
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Basic Information
| ChEMBL ID | CHEMBL503357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOJMNRCIARIAPR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
307.7
MW (Da)
-1.96
ALogP
7
HBA
4
HBD
133.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 12000.0 | nM | 4.92 | Growth inhibition of human HeLa cells after 72 hrs by MTT assay | 18640746 |
| MIA PaCa-2 | IC50 | = | 18000.0 | nM | 4.75 | Growth inhibition of human MIAPaCa2 cells after 72 hrs by MTT assay | 18640746 |
| SW-620 | IC50 | = | 19000.0 | nM | 4.72 | Growth inhibition of human SW620 cells after 72 hrs by MTT assay | 18640746 |
| NCI-H460 | IC50 | = | 24000.0 | nM | 4.62 | Growth inhibition of human H460 cells after 72 hrs by MTT assay | 18640746 |
| MCF7 | IC50 | = | 32000.0 | nM | 4.5 | Growth inhibition of human MCF7 cells after 72 hrs by MTT assay | 18640746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640746 | 10.1016/j.ejmech.2008.06.002 | HeLa | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MIA PaCa-2 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | SW-620 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | MCF7 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | NCI-H460 | 1 |
| 18640746 | 10.1016/j.ejmech.2008.06.002 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine