Compound Detail
CHEMBL551212
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 | CHEMBL551212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZDSTVKQUHMIRA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
315.1
MW (Da)
2.48
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Ribonuclease H1 CHEMBL5893 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Cytomegalovirus CHEMBL613134 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | Mus musculus |
| T1/2 | 120.0 | hr | Homo sapiens |
| T1/2 | 120.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 670.0 | nM | 6.17 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Ribonuclease H1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human RNase H assessed as substrate cleavage by fluorescence assay | 19791799 |
| Cytomegalovirus | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 35377638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 8 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 19791799 | 10.1021/jm900597q | Ribonuclease H1 | 1 |
| 19791799 | 10.1021/jm900597q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19791799 | 10.1021/jm900597q | Human immunodeficiency virus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Cytomegalovirus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | HFF | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine