Compound Detail
CHEMBL296175
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Basic Information
| ChEMBL ID | CHEMBL296175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHXWVKNHPDSLDA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
5.14
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.62
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 6.23 | 6.23 | 589.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 589.0 | nM | 6.23 | Anti-HIV activity to reduce HIV-1-induced cytopathic effect by 50% in MT-4 cells... | 11425562 |
| Human immunodeficiency virus 1 | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against HIV1 3B-induced cytopathic effect in MT4 cells assess... | 17349793 |
| Human immunodeficiency virus 1 | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against HIV1 3B replication in human MT4 cells assessed as in... | 18242784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425562 | 10.1016/s0960-894x(01)00304-3 | MT4 | 2 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Human immunodeficiency virus 2 | 2 |
| 11425562 | 10.1016/s0960-894x(01)00304-3 | Unchecked | 1 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | Human immunodeficiency virus 1 | 1 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | MT4 | 1 |
| 17349793 | 10.1016/j.bmc.2007.02.044 | Unchecked | 1 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Human immunodeficiency virus 1 | 1 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | MT4 | 1 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine