Compound Detail
CHEMBL4176081
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Basic Information
| ChEMBL ID | CHEMBL4176081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMNUIJGPWFTQMJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.06
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.1 | 5.1 | 7943.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 7943.28 | nM | 5.1 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
| Unchecked | EC50 | = | 7955.0 | nM | 5.1 | Modulation of basal activity of HCMV US28 delta300 mutant expressed in tetracycl... | 29886326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29886326 | 10.1016/j.ejmech.2018.05.053 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine