Compound Detail
CHEMBL4592074
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Basic Information
| ChEMBL ID | CHEMBL4592074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRDSPVUFCCVMCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.84
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 6100.0 | nM | 5.21 | Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell viabilit... | 31673309 |
| U-937 | IC50 | = | 11700.0 | nM | 4.93 | Cytotoxicity against human U937 cells assessed as reduction in cell viability in... | 31673309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31673309 | 10.1039/C9MD00052F | HeLa | 1 |
| 31673309 | 10.1039/C9MD00052F | U-937 | 1 |
| 31673309 | 10.1039/C9MD00052F | A549 | 1 |
| 31673309 | 10.1039/C9MD00052F | MIA PaCa-2 | 1 |
| 31673309 | 10.1039/C9MD00052F | REH | 1 |
| 31673309 | 10.1039/C9MD00052F | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine