Compound Detail
CHEMBL270618
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Basic Information
| ChEMBL ID | CHEMBL270618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAINBMUVTTVGJT-ZETCQYMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
296.2
MW (Da)
-0.67
ALogP
5
HBA
3
HBD
121.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.26 | 4.26 | 54800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 54800.0 | nM | 4.26 | Antiviral activity against CXCR4-tropic HIV-1 NL4-3 infected in human TZM-bl cel... | 28682067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18221873 | 10.1016/j.bmcl.2008.01.006 | Thymidine phosphorylase | 4 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Unchecked | 3 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human immunodeficiency virus 1 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Hepatitis B virus | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human betaherpesvirus 5 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human alphaherpesvirus 3 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HEL | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | TZM | 1 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine