Compound Detail
CHEMBL2386683
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Basic Information
| ChEMBL ID | CHEMBL2386683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLAVBEQGJZCAGI-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.33
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.98
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 6.1 | 6.09 | 800.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.87 | 4.87 | 13500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 800.0 | nM | 6.1 | Inverse agonist activity at human cytomegalovirus US28 receptor transfected in H... | 23768434 |
| Molecular identity unknown | EC50 | = | 831.76 | nM | 6.08 | Inverse agonist activity at human cytomegalovirus US28 receptor transfected in H... | 23768434 |
| Human immunodeficiency virus 1 | IC50 | = | 10400.0 | nM | 4.98 | Antiviral activity against HIV1 BAL infected in human TZM-bl cells assessed as i... | 27161874 |
| CHO | IC50 | = | 13500.0 | nM | 4.87 | Cytotoxicity against CHO cells after 48 hrs by MTS assay | 23768434 |
| CHO | IC50 | = | 13500.0 | nM | 4.87 | Cytotoxicity against CHO cells assessed as decrease in cell proliferation after ... | 27161874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161874 | 10.1016/j.bmc.2016.04.045 | Human immunodeficiency virus 1 | 5 |
| 23768434 | 10.1021/jm4003457 | Molecular identity unknown | 4 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | ADMET | 4 |
| 23768434 | 10.1021/jm4003457 | CHO | 1 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | CHO | 1 |
Data from ChEMBL 36 via Core Engine