Compound Detail
CHEMBL3799782
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Basic Information
| ChEMBL ID | CHEMBL3799782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFDQDRVSTUEDGB-DHDCSXOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.08
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 17300.0 | nM | 4.76 | Cytotoxicity against CHO cells assessed as decrease in cell proliferation after ... | 27161874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161874 | 10.1016/j.bmc.2016.04.045 | Human immunodeficiency virus 1 | 1 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | ADMET | 1 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | CHO | 1 |
Data from ChEMBL 36 via Core Engine