Compound Detail
CHEMBL345967
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Basic Information
| ChEMBL ID | CHEMBL345967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRGZNYSEHTMHC-RQJHMYQMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-1.31
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1300.0 | nM | 5.89 | Effective concentration against HIV-1 strain LAV in human peripheral blood monon... | 8496934 |
| Vero | IC50 | = | 16800.0 | nM | 4.78 | Cytotoxic effect against vero cells. | 8496934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00343-R | CCRF-CEM | 2 |
| 8496934 | 10.1021/jm00057a001 | Human immunodeficiency virus 1 | 1 |
| 8496934 | 10.1021/jm00057a001 | ADMET | 1 |
| 8496934 | 10.1021/jm00057a001 | Vero | 1 |
| - | 10.1016/0960-894X(95)00343-R | Hepatoma cell line | 1 |
Data from ChEMBL 36 via Core Engine