Compound Detail
CHEMBL3617204
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 | CHEMBL3617204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHZBRCRKPOREU-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
0.93
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Kd 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF CHEMBL3883316 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
| Flap endonuclease 1 CHEMBL5027 | IC50 | 4.27 | 4.27 | 53400.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| DNA excision repair protein ERCC-1/DNA repair endonuclease XPF | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of ERCC1-XPF (unknown origin) by high-throughput fluorescence based i... | 26321360 |
| Flap endonuclease 1 | IC50 | = | 53400.0 | nM | 4.27 | Inhibition of FEN1 (unknown origin) | 26321360 |
| Unchecked | Kd | = | 56000.0 | nM | 4.25 | Binding affinity to human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged E... | 39015284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 3 |
| 39015284 | 10.1021/acsmedchemlett.3c00453 | Unchecked | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine