Compound Detail
CHEMBL237025
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Basic Information
| ChEMBL ID | CHEMBL237025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHZXDLVFVJJMPP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
5.43
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.18
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.18 | 6.49 | 66.6 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 66.6 | nM | 7.18 | Antiviral activity against wild type HIV1 NL4-3 in MT4 cells after 5 days by MTT... | 18052319 |
| Human immunodeficiency virus 1 | IC50 | = | 360.0 | nM | 6.44 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 18692274 |
| Human immunodeficiency virus 1 | EC50 | = | 1578.0 | nM | 5.8 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 18052319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus 1 | 4 |
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18052319 | 10.1021/jm0708230 | NON-PROTEIN TARGET | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Human immunodeficiency virus 1 | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Human immunodeficiency virus 2 | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | MT4 | 1 |
| 18692274 | 10.1016/j.ejmech.2008.06.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine