Compound Detail
CHEMBL3143102
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Basic Information
| ChEMBL ID | CHEMBL3143102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXABSFMWMQVAIC-ADVRJHOBSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
-0.76
ALogP
8
HBA
4
HBD
132.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| KB CHEMBL398 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 70.0 | nM | 7.16 | antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase ac... | 7562946 |
| Human betaherpesvirus 5 | IC50 | = | 220.0 | nM | 6.66 | antiviral activity in Human cytomegalovirus by plaque assay (HCMV) | 7562946 |
| CCRF-CEM | IC50 | = | 2000.0 | nM | 5.7 | Visual cytotoxicity scored on CEM cells at time of HCMV plaque enumeration | 7562946 |
| KB | IC50 | = | 3000.0 | nM | 5.52 | cell growth inhibition was determined in KB cells in quadruplicate assays | 7562946 |
| HFF | IC50 | = | 3100.0 | nM | 5.51 | Visual cytotoxicity scored on HFF cells at time of HCMV plaque enumeration | 7562946 |
| L1210 | IC50 | = | 5000.0 | nM | 5.3 | antiproliferative activity in L1210 Murine Leukemia in vitro expressed as concen... | 7562946 |
| Human alphaherpesvirus 1 | IC50 | = | 8700.0 | nM | 5.06 | Antiviral activity in Herpes simplex virus-1 assayed by ELISA in quadruplicate w... | 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