Compound Detail
CHEMBL275504
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
COC(=O)C(C)NP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])Oc1ccc(OC)cc1
Basic Information
| ChEMBL ID | CHEMBL275504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTLBYQQAWSMQOX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
2.17
ALogP
11
HBA
2
HBD
195.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.24
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 57.0 | nM | 7.24 | Anti HIV-1 activity in human lymphocyte CEM/0 cell line | 8478904 |
| CCRF-CEM | EC50 | = | 65.0 | nM | 7.19 | Anti HIV-2 activity in human lymphocyte CEM/0 cell line | 8478904 |
| MT4 | EC50 | = | 69.0 | nM | 7.16 | Anti HIV-2 activity in human lymphocyte MT-4 cell line | 8478904 |
| MT4 | EC50 | = | 71.0 | nM | 7.15 | Anti HIV-1 activity in human lymphocyte MT-4 cell line | 8478904 |
| CCRF-CEM | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity in HIV-2 infected CEM cells which are deficient in Thymidine ... | 8478904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478904 | 10.1021/jm00060a013 | CCRF-CEM | 4 |
| 8478904 | 10.1021/jm00060a013 | MT4 | 3 |
| - | 10.1016/S0960-894X(00)80395-9 | JM1 | 2 |
| 8478904 | 10.1021/jm00060a013 | NON-PROTEIN TARGET | 1 |
| 8478904 | 10.1021/jm00060a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine