Compound Detail
CHEMBL58506
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Basic Information
| ChEMBL ID | CHEMBL58506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMACPMQCCGUQQX-LBPRGKRZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.37
ALogP
5
HBA
1
HBD
44.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.25 | 7.25 | 56.2 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.25 | 7.25 | 56.2 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.25 | 4.25 | 56300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 56.3 | nM | 7.25 | Concentration required for 50% protection of MT-4 cells against the cytopathic e... | 7877144 |
| Unchecked | IC50 | = | 56.23 | nM | 7.25 | Inhibition of HIV reverse transcriptase | 20060625 |
| Human immunodeficiency virus 1 | IC50 | = | 56.23 | nM | 7.25 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 56300.0 | nM | 4.25 | Inhibition of HIV-1 reverse transcriptase. | 9857095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7877144 | 10.1021/jm00005a006 | Human immunodeficiency virus 1 | 1 |
| 9857095 | 10.1021/jm9804174 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine