Compound Detail
CHEMBL38860
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Basic Information
| ChEMBL ID | CHEMBL38860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLECVCUUYSNNAI-PHDIDXHHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
237.2
MW (Da)
-0.73
ALogP
8
HBA
2
HBD
108.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.3
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| MT4 CHEMBL388 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity was evaluated in mitogen-stimulated human peripheral blood mo... | 8421287 |
| ADMET | IC50 | = | 500.0 | nM | 6.3 | Compound was tested for inhibitory activity against HIV in human peripheral bloo... | - |
| MT4 | IC50 | = | 1300.0 | nM | 5.89 | Compound was tested for inhibitory activity against HIV in whole cell assay (MT-... | - |
| Human immunodeficiency virus 1 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human immunodeficiency virus 1 LAI infected in PHA-st... | 24015326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80014-1 | MT4 | 2 |
| - | 10.1016/S0960-894X(00)80014-1 | ADMET | 2 |
| 8421287 | 10.1021/jm00053a004 | ADMET | 2 |
| 24015326 | 10.1021/ml4001497 | PBMC | 2 |
| 8421287 | 10.1021/jm00053a004 | Vero | 1 |
| 8421287 | 10.1021/jm00053a004 | CCRF-CEM | 1 |
| 24015326 | 10.1021/ml4001497 | CCRF-CEM | 1 |
| 24015326 | 10.1021/ml4001497 | Huh-7 | 1 |
| 24015326 | 10.1021/ml4001497 | Vero | 1 |
| 24015326 | 10.1021/ml4001497 | HepG2 | 1 |
| 24015326 | 10.1021/ml4001497 | Hepatitis B virus | 1 |
| 24015326 | 10.1021/ml4001497 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine