Compound Detail
CHEMBL276943
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Basic Information
| ChEMBL ID | CHEMBL276943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBRGEODPHAXHBK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.16
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.96
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 4.96 | 4.96 | 10900.0 | 1 |
| H9 CHEMBL614806 | EC50 | 4.96 | 4.96 | 10900.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 10900.0 | nM | 4.96 | Concentration required to inhibit viral replication in acutely infected H9 lymph... | 11354375 |
| Human immunodeficiency virus | EC50 | = | 10900.0 | nM | 4.96 | Antiviral activity against HIV infected in human H9 cells | 29656203 |
| H9 | IC50 | = | 100000.0 | nM | 4.0 | Concentration required to inhibit uninfected H9 cell growth when tested for anti... | 11354375 |
| Human immunodeficiency virus | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HIV infected in human H9 cells | 29656203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354375 | 10.1016/s0960-894x(01)00190-1 | KB | 2 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | H9 | 2 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Human immunodeficiency virus | 2 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tubulin | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | SK-MEL-2 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | HCT-8 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | MCF7 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | A549 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | 1A9 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | ADMET | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine