Compound Detail
CHEMBL1807155
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Basic Information
| ChEMBL ID | CHEMBL1807155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFMXGFVRNQKMTC-WYDQCIBASA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
298.6
MW (Da)
-0.92
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.89
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felid alphaherpesvirus 1 CHEMBL612743 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Thymidine kinase CHEMBL1795127 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.48 | 4.295 | 33000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Thymidine kinase CHEMBL1795128 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felid alphaherpesvirus 1 | EC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against Feline herpesvirus infected in cat CRFK cells assesse... | 21696963 |
| Thymidine kinase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of Herpes simplex virus-1 thymidine kinase-mediated phosphorylation o... | 21696963 |
| Human alphaherpesvirus 1 | EC50 | = | 33000.0 | nM | 4.48 | Antiviral activity against Herpes simplex virus 1 KOS infected in human HEL cell... | 21696963 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Varicella-zoster virus thymidine kinase-mediated phosphorylation o... | 21696963 |
| Human alphaherpesvirus 1 | EC50 | = | 78000.0 | nM | 4.11 | Antiviral activity against acyclovir-resistant TK-deficient Herpes simplex virus... | 21696963 |
| Thymidine kinase | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of Feline herpesvirus thymidine kinase assessed as phosphorylation of... | 21696963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696963 | 10.1016/j.bmc.2011.05.037 | Human alphaherpesvirus 3 | 4 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Thymidine kinase | 2 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | HEL | 2 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Human betaherpesvirus 5 | 2 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Human alphaherpesvirus 1 | 2 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | HeLa | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | CCRF-CEM | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | FM3A | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | L1210 | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Unchecked | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | ADMET | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Vaccinia virus | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Human alphaherpesvirus 2 | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | Felid alphaherpesvirus 1 | 1 |
Data from ChEMBL 36 via Core Engine