Compound Detail
CHEMBL215727
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL215727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUNVMVVZOHLFMA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.29
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Osteoclast-like CHEMBL614359 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 53.0 | nM | 7.28 | Antiviral activity against human CMV by dot blot assay in HFF cells | 16814545 |
| Osteoclast-like | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human bone marrow cells assessed as inhibition of colony fo... | 16814545 |
| Jurkat | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human Jurkat cells | 16814545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16814545 | 10.1016/j.bmcl.2006.06.066 | HFF | 2 |
| 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