Compound Detail
CHEMBL572918
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Basic Information
| ChEMBL ID | CHEMBL572918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGTAGWUOBIRALS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1197457 |
| Active Moiety | CHEMBL1197457 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.17
ALogP
4
HBA
4
HBD
84.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras-related C3 botulinum toxin substrate 1 CHEMBL6094 | IC50 | 5.57 | 5.335 | 2700.0 | 2 |
| Cell division control protein 42 homolog CHEMBL6088 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Rac1b GTPase activity assessed as incorporation of BODIPY-GTP afte... | 19716293 |
| Cell division control protein 42 homolog | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP afte... | 19716293 |
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after... | 19716293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716293 | 10.1016/j.bmcl.2009.08.037 | Ras-related C3 botulinum toxin substrate 1 | 4 |
| 33611188 | 10.1016/j.ejmech.2021.113289 | Amyloid-beta precursor protein | 3 |
| 19716293 | 10.1016/j.bmcl.2009.08.037 | Unchecked | 2 |
| 19716293 | 10.1016/j.bmcl.2009.08.037 | Cell division control protein 42 homolog | 2 |
| 33611188 | 10.1016/j.ejmech.2021.113289 | No relevant target | 1 |
| 33611188 | 10.1016/j.ejmech.2021.113289 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine