Compound Detail
CHEMBL74003
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Basic Information
| ChEMBL ID | CHEMBL74003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPTRGYGGPQDECG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.2
MW (Da)
4.09
ALogP
6
HBA
2
HBD
94.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.8 | 6.23 | 160.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 607.0 | nM | 6.22 | Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 2120.0 | nM | 5.67 | Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined | 11527704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Human immunodeficiency virus 1 | 4 |
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine