Compound Detail
CHEMBL4250177
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Basic Information
| ChEMBL ID | CHEMBL4250177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXWQVYKPXOJCRK-IAGONARPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
5.76
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WRL68 CHEMBL612587 | IC50 | 4.09 | 4.09 | 81800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WRL68 | IC50 | = | 81800.0 | nM | 4.09 | Cytotoxicity against human WRL68 cells preincubated for 4 hrs followed by incuba... | 29605808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29605808 | 10.1016/j.ejmech.2018.03.063 | DLD-1 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | MCF7 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | WRL68 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | A-431 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | A549 | 1 |
| 32721784 | 10.1016/j.ejmech.2020.112607 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine