Compound Detail
CHEMBL1807159
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1807159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHWMORUEXGTGNM-FRGKPREDSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
757.4
MW (Da)
4.11
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.68
EC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.07 | 4.75 | 8500.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 8500.0 | nM | 5.07 | Antiviral activity against Varicella-zoster virus OKA expressing thymidine kinas... | 21696963 |
| CCRF-CEM | IC50 | = | 21000.0 | nM | 4.68 | Antiproliferation activity against human CEM cells after 3 days by coulter count... | 21696963 |
| L1210 | IC50 | = | 23000.0 | nM | 4.64 | Antiproliferation activity against mouse L1210 cells after 2 days by coulter cou... | 21696963 |
| HeLa | IC50 | = | 29000.0 | nM | 4.54 | Antiproliferation activity against human HeLa cells after 3 days by coulter coun... | 21696963 |
| Human alphaherpesvirus 3 | EC50 | = | 37000.0 | nM | 4.43 | Antiviral activity against thymidine kinase-deficient Varicella-zoster virus 07-... | 21696963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 3 | 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 | 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