Compound Detail
CHEMBL277500
BENZENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL277500 |
| Name | BENZENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHOVQNZJYSORNB-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
78.1
MW (Da)
1.69
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 4.57
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endolysin CHEMBL5206 | Kd | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endolysin | Kd | = | 27000.0 | nM | 4.57 | Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant ex... | 23473072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6167716 | 10.1021/jm00135a006 | ADMET | 8 |
| 23473072 | 10.1021/jm301823g | Endolysin | 6 |
| 2033592 | 10.1021/jm00109a021 | ADMET | 4 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 4 |
| 17544548 | 10.1016/j.ejmech.2007.04.002 | ADMET | 3 |
| 24890655 | 10.1016/j.bmc.2014.05.019 | No relevant target | 2 |
| 17629592 | 10.1016/j.ejmech.2007.05.007 | No relevant target | 1 |
| 29100802 | 10.1016/j.bmcl.2017.09.041 | No relevant target | 1 |
| 28177632 | 10.1021/acs.jmedchem.6b01807 | No relevant target | 1 |
| 915902 | 10.1021/jm00221a013 | Unchecked | 1 |
| 1271417 | 10.1021/jm00227a031 | No relevant target | 1 |
| 1271397 | 10.1021/jm00227a001 | No relevant target | 1 |
| 23473072 | 10.1021/jm301823g | Unchecked | 1 |
| 10866370 | 10.1016/s0960-894x(00)00172-4 | No relevant target | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
| 15916423 | 10.1021/jm0491187 | Endolysin | 1 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 6167716 | 10.1021/jm00135a006 | No relevant target | 1 |
| 2993621 | 10.1021/jm00147a037 | No relevant target | 1 |
| 8941388 | 10.1021/jm960163r | ADMET | 1 |
Data from ChEMBL 36 via Core Engine