Compound Detail
CHEMBL5074766
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Basic Information
| ChEMBL ID | CHEMBL5074766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BULOKVUWCOMRHU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.16
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF-10A | EC50 | = | 2000.0 | nM | 5.7 | Antitumor activity against human spontaneously immortalized CDH-/- MCF10A cells ... | 34878770 |
| MCF-10A | EC50 | = | 3200.0 | nM | 5.5 | Antitumor activity against human spontaneously immortalized wild type MCF-10A ce... | 34878770 |
| NCI-N87 | EC50 | = | 8500.0 | nM | 5.07 | Antitumor activity against human wild type NCI-N87 cells assessed as cell number... | 34878770 |
| NCI-N87 | EC50 | = | 16350.0 | nM | 4.79 | Antitumor activity against human CDH-/- NCI-N87cells assessed as cell numbers me... | 34878770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34878770 | 10.1021/acs.jmedchem.1c01609 | MCF-10A | 13 |
| 34878770 | 10.1021/acs.jmedchem.1c01609 | Unchecked | 6 |
| 34878770 | 10.1021/acs.jmedchem.1c01609 | NCI-N87 | 2 |
| 34878770 | 10.1021/acs.jmedchem.1c01609 | SUMO-conjugating enzyme UBC9 | 1 |
| 34878770 | 10.1021/acs.jmedchem.1c01609 | Actin-related protein 2/3 complex subunit 5 | 1 |
Data from ChEMBL 36 via Core Engine