Compound Detail
CHEMBL1807157
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C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1807157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDEQWFXTTCWNIT-ZMZPBXSZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
707.4
MW (Da)
2.96
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felid alphaherpesvirus 1 CHEMBL612743 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felid alphaherpesvirus 1 | EC50 | = | 4400.0 | nM | 5.36 | Antiviral activity against Feline herpesvirus infected in cat CRFK cells assesse... | 21696963 |
| Human alphaherpesvirus 1 | EC50 | = | 27000.0 | nM | 4.57 | Antiviral activity against Herpes simplex virus 1 KOS infected in human HEL cell... | 21696963 |
| Human alphaherpesvirus 2 | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against Herpes simplex virus-2 G infected in human HEL cells ... | 21696963 |
| Vaccinia virus | EC50 | = | 58000.0 | nM | 4.24 | Antiviral activity against Vaccinia virus infected in human HEL cells assessed a... | 21696963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696963 | 10.1016/j.bmc.2011.05.037 | Human alphaherpesvirus 1 | 2 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | ADMET | 1 |
| 21696963 | 10.1016/j.bmc.2011.05.037 | HEL | 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