Compound Detail
CHEMBL5428628
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Basic Information
| ChEMBL ID | CHEMBL5428628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVVJRPXWFDQCMV-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.99
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Macrophage CHEMBL5314319 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 37253120 |
| SMMC-7721 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human SMMC-7721 cells assessed as inhibition ... | 37253120 |
| A549 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37253120 |
| MCF7 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 37253120 |
| SW480 | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human SW480 cells assessed as inhibition of c... | 37253120 |
| RAW264.7 | IC50 | = | 2060.0 | nM | 5.69 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 37253120 |
| Macrophage | IC50 | = | 2060.0 | nM | 5.69 | Anti-inflammatory activity in mouse macrophages extracted from abdominal activit... | 37683361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Klebsiella pneumoniae | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Escherichia coli | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Providencia stuartii | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Pseudomonas aeruginosa | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Staphylococcus aureus | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | RAW264.7 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | HL-60 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | SMMC-7721 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | A549 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | MCF7 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | SW480 | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | CCRF-CEM | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine