Compound Detail
CHEMBL605800
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Basic Information
| ChEMBL ID | CHEMBL605800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPYKYJLSOYONBI-QHPFDFDXSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
445.0
MW (Da)
1.56
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.68 | 4.68 | 21000.0 | 2 |
| KB CHEMBL398 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 21000.0 | nM | 4.68 | Compound was evaluated for the antiviral activity against HSV-1 determined by us... | 7562945 |
| Human alphaherpesvirus 1 | IC50 | = | 21000.0 | nM | 4.68 | Compound was tested for antiviral activity against HSV-1 | - |
| KB | IC50 | = | 23000.0 | nM | 4.64 | Compound was evaluated for the inhibition of KB cell growth determined in quadru... | 7562945 |
| Human betaherpesvirus 5 | IC50 | = | 30000.0 | nM | 4.52 | Compound was evaluated for the antiviral activity against HCMV determined by usi... | 7562945 |
| Human betaherpesvirus 5 | IC50 | = | 30000.0 | nM | 4.52 | Compound was tested for antiviral activity against human cytomegalovirus (HCMV) ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562945 | 10.1021/jm00020a025 | Human betaherpesvirus 5 | 2 |
| - | 10.1016/S0960-894X(00)80628-9 | Human betaherpesvirus 5 | 2 |
| 7562945 | 10.1021/jm00020a025 | Human alphaherpesvirus 1 | 1 |
| 7562945 | 10.1021/jm00020a025 | HFF | 1 |
| 7562945 | 10.1021/jm00020a025 | KB | 1 |
| - | 10.1016/S0960-894X(00)80628-9 | Human alphaherpesvirus 1 | 1 |
| - | 10.1016/S0960-894X(00)80628-9 | HFF | 1 |
Data from ChEMBL 36 via Core Engine