Compound Detail
CHEMBL350982
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Basic Information
| ChEMBL ID | CHEMBL350982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTUOQDQWCBEQIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
4.43
ALogP
3
HBA
1
HBD
24.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 42.0 | nM | 7.38 | Effective concentration of compound required to achieve 50% protection of MT-4 c... | 7877143 |
| Human immunodeficiency virus 1 | IC50 | = | 1150.0 | nM | 5.94 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 7877143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7877143 | 10.1021/jm00005a005 | MT4 | 1 |
| 7877143 | 10.1021/jm00005a005 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine