Compound Detail
CHEMBL187010
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Basic Information
| ChEMBL ID | CHEMBL187010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAIMSDCSXBBWEK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
1.40
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
EC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Flap endonuclease 1 CHEMBL5027 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Cytomegalovirus CHEMBL613134 | EC50 | 4.68 | 4.68 | 21100.0 | 1 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF CHEMBL3883316 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Flap endonuclease 1 | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of FEN1 (unknown origin) | 26321360 |
| Cytomegalovirus | EC50 | = | 21100.0 | nM | 4.68 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 35377638 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | IC50 | = | 27300.0 | nM | 4.56 | Inhibition of ERCC1-XPF (unknown origin) by high-throughput fluorescence based i... | 26321360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 2 |
| 15380204 | 10.1016/j.bmcl.2004.07.075 | RNA-directed RNA polymerase | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Flap endonuclease 1 | 1 |
| 26321360 | 10.1016/j.bmcl.2015.08.024 | Deoxyribonuclease-1 | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Cytomegalovirus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | HFF | 1 |
Data from ChEMBL 36 via Core Engine