Compound Detail
CHEMBL204900
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Basic Information
| ChEMBL ID | CHEMBL204900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKFDSUVIQPBLJU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
1.18
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 6.21 | 6.21 | 620.0 | 2 |
| Ribonuclease H1 CHEMBL5893 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Tripartite terminase subunit 3 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Human Cytomegalovirus C-terminal UL89 phosphorylation using (5-tcg... | 37827528 |
| Ribonuclease H1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human RNase H assessed as substrate cleavage by fluorescence assay | 19791799 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of recombinant p66/p51 HIV-1 RNase H using 6-FAM-labeld DNA substrate... | 35377638 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of HIV-1 reverse transcriptase RNase H | 37827528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 16509585 | 10.1021/jm051064t | RNA-directed RNA polymerase | 2 |
| 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 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Tripartite terminase subunit 3 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine