Compound Detail
CHEMBL2111874
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
Basic Information
| ChEMBL ID | CHEMBL2111874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDPJWRZJFZYRCG-GTPRZXKGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.1
MW (Da)
0.24
ALogP
8
HBA
3
HBD
130.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 3200.0 | nM | 5.5 | antiviral activity in Human cytomegalovirus by plaque assay (HCMV) | 7562946 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 32000.0 | nM | 4.5 | antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase ac... | 7562946 |
| HFF | IC50 | = | 55000.0 | nM | 4.26 | Visual cytotoxicity scored on HFF cells at time of HCMV plaque enumeration | 7562946 |
| L1210 | IC50 | = | 90000.0 | nM | 4.05 | antiproliferative activity in L1210 Murine Leukemia in vitro expressed as concen... | 7562946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562946 | 10.1021/jm00020a026 | L1210 | 2 |
| 7562946 | 10.1021/jm00020a026 | Human betaherpesvirus 5 | 2 |
| 7562946 | 10.1021/jm00020a026 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7562946 | 10.1021/jm00020a026 | Human alphaherpesvirus 1 | 1 |
| 7562946 | 10.1021/jm00020a026 | HFF | 1 |
| 7562946 | 10.1021/jm00020a026 | KB | 1 |
| 7562946 | 10.1021/jm00020a026 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine