Compound Detail
CHEMBL297745
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Basic Information
| ChEMBL ID | CHEMBL297745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVKQNFSDMVOKMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
0.30
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxic activity tested against exponentially growing KB cells, determined by ... | 8632411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632411 | 10.1021/jm950444j | Human betaherpesvirus 5 | 1 |
| 8632411 | 10.1021/jm950444j | Human alphaherpesvirus 1 | 1 |
| 8632411 | 10.1021/jm950444j | HFF | 1 |
| 8632411 | 10.1021/jm950444j | KB | 1 |
| 8632411 | 10.1021/jm950444j | L1210 | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | HFF | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine