Compound Detail
CHEMBL416887
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Basic Information
| ChEMBL ID | CHEMBL416887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WITXFYCLPDFRNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.48
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | - | - | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against Vero cells | 17234303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10843222 | 10.1016/s0960-894x(00)00161-x | Unchecked | 2 |
| 10843222 | 10.1016/s0960-894x(00)00161-x | Lysosomal acid glucosylceramidase | 1 |
| 17234303 | 10.1016/j.ejmech.2006.12.003 | Vero | 1 |
| 21778064 | 10.1016/j.bmc.2011.06.070 | Amine oxidase [flavin-containing] A | 1 |
| 21778064 | 10.1016/j.bmc.2011.06.070 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine