Compound Detail
CHEMBL3621408
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Basic Information
| ChEMBL ID | CHEMBL3621408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDXDCIUYJJVYHC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1187730 |
| Active Moiety | CHEMBL1187730 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.69
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C6 CHEMBL614657 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C6 | IC50 | = | 14400.0 | nM | 4.84 | Cytotoxicity against rat C6 cells assessed as inhibition of cell proliferation a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00264D | C6 | 6 |
| - | 10.1039/C4MD00264D | NON-PROTEIN TARGET | 5 |
| - | 10.1039/C4MD00264D | No relevant target | 1 |
| - | 10.1039/C4MD00264D | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine