Compound Detail
CHEMBL75956
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Basic Information
| ChEMBL ID | CHEMBL75956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGLCIGGDZYNYIQ-GORDUTHDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
-0.03
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 stra... | 9438017 |
| Human alphaherpesvirus 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration against herpes simplex virus type 1 (HSV-1) was determi... | 9438017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438017 | 10.1021/jm9705723 | HFF | 8 |
| 9438017 | 10.1021/jm9705723 | MEF | 2 |
| 9438017 | 10.1021/jm9705723 | Vero | 2 |
| 9438017 | 10.1021/jm9705723 | CCRF-CEM | 2 |
| 9438017 | 10.1021/jm9705723 | NON-PROTEIN TARGET | 2 |
| 9438017 | 10.1021/jm9705723 | Daudi | 2 |
| 9438017 | 10.1021/jm9705723 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 9438017 | 10.1021/jm9705723 | KB | 1 |
| 9438017 | 10.1021/jm9705723 | Human alphaherpesvirus 1 | 1 |
| 9438017 | 10.1021/jm9705723 | HepG2 | 1 |
| 9438017 | 10.1021/jm9705723 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine