Compound Detail
CHEMBL5436670
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Basic Information
| ChEMBL ID | CHEMBL5436670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEZJAHLAEKXBTP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.24
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras-related C3 botulinum toxin substrate 1 CHEMBL6094 | IC50 | 5.93 | 5.93 | 1180.0 | 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 | = | 1180.0 | nM | 5.93 | Inhibition of GTP-tagged recombinant Rac1 (unknown origin) PAK binding domain ex... | 37253305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37253305 | 10.1016/j.bmc.2023.117337 | Ras-related C3 botulinum toxin substrate 1 | 1 |
Data from ChEMBL 36 via Core Engine