Compound Detail
CHEMBL385412
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Basic Information
| ChEMBL ID | CHEMBL385412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCVZVXPOZUZOLF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.96
ALogP
7
HBA
0
HBD
90.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 6.52 | 5.5933 | 300.0 | 3 |
| Osteoclast-like CHEMBL614359 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 300.0 | nM | 6.52 | Antiviral activity against human CMV by dot blot assay in HFF cells | 16814545 |
| HFF | IC50 | = | 550.0 | nM | 6.26 | Antiviral activity against human CMV by luciferase reporter gene assay in HFF ce... | 16814545 |
| Osteoclast-like | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against human bone marrow cells assessed as inhibition of colony fo... | 16814545 |
| Jurkat | IC50 | = | 80000.0 | nM | 4.1 | Cytotoxicity against human Jurkat cells | 16814545 |
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against HFF cells | 16814545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16814545 | 10.1016/j.bmcl.2006.06.066 | HFF | 3 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Human betaherpesvirus 5 | 2 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Jurkat | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Osteoclast-like | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Human alphaherpesvirus 1 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Human gammaherpesvirus 4 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Human immunodeficiency virus | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Human betaherpesvirus 6 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Murid betaherpesvirus 2 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Caviid betaherpesvirus 2 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | Murid betaherpesvirus 1 | 1 |
| 16814545 | 10.1016/j.bmcl.2006.06.066 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine