Compound Detail
CHEMBL87112
BENZOTHIOPHENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL87112 |
| Name | BENZOTHIOPHENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
134.2
MW (Da)
2.90
ALogP
1
HBA
0
HBD
0.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endolysin CHEMBL5206 | Kd | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endolysin | Kd | = | 74000.0 | nM | 4.13 | Dissociation constant against T4 lysozyme mutant L99A | 15916423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167983 | 10.1021/jm00171a043 | No relevant target | 1 |
| 15916423 | 10.1021/jm0491187 | Endolysin | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine