Compound Detail
CHEMBL5290216
MBQ-167 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL5290216 |
| Name | MBQ-167 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | LJCANTASZGYJLG-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names
1
Indications
Molecular Properties
338.4
MW (Da)
5.06
ALogP
4
HBA
0
HBD
35.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Breast Neoplasms
Activity Summary
IC50 6 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division control protein 42 homolog CHEMBL6088 | IC50 | 7.11 | 7.1067 | 78.0 | 3 |
| Ras-related C3 botulinum toxin substrate 1 CHEMBL6094 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| RAC1/RAC2/RAC3 CHEMBL5482993 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division control protein 42 homolog | IC50 | = | 78.0 | nM | 7.11 | Inhibition of Cdc42 P21-binding domain in human MDA-MB-231 cells incubated for 2... | 37253305 |
| Cell division control protein 42 homolog | IC50 | = | 78.0 | nM | 7.11 | Inhibition of CDC42 activation in human MDA-MB-231 cells treated for 24 hrs by W... | 36893627 |
| Cell division control protein 42 homolog | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Cdc42 GTPase in human breast cancer cell line treated for 24 hrs b... | 34236862 |
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Rac1 GTPase in human breast cancer cell line treated for 24 hrs by... | 34236862 |
| RAC1/RAC2/RAC3 | IC50 | = | 103.0 | nM | 6.99 | Inhibition of Rac1/Rac2/Rac3 P21-binding domain in human MDA-MB-231 cells incuba... | 37253305 |
| Unchecked | IC50 | = | 103.0 | nM | 6.99 | Inhibition of Rac activation in human MDA-MB-231 cells treated for 24 hrs by Wes... | 36893627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36893627 | 10.1016/j.ejmech.2023.115254 | MDA-MB-435 | 2 |
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Ras-related C3 botulinum toxin substrate 1 | 1 |
| 34236862 | 10.1021/acs.jmedchem.1c00410 | Cell division control protein 42 homolog | 1 |
| 37253305 | 10.1016/j.bmc.2023.117337 | RAC1/RAC2/RAC3 | 1 |
| 37253305 | 10.1016/j.bmc.2023.117337 | Cell division control protein 42 homolog | 1 |
| 36893627 | 10.1016/j.ejmech.2023.115254 | MDA-MB-231 | 1 |
| 36893627 | 10.1016/j.ejmech.2023.115254 | Unchecked | 1 |
| 36893627 | 10.1016/j.ejmech.2023.115254 | Cell division control protein 42 homolog | 1 |
Data from ChEMBL 36 via Core Engine