Compound Detail
CHEMBL178880
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Basic Information
| ChEMBL ID | CHEMBL178880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFAYXZXEMJOBCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.75
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.52 | 7.41 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3.0 | nM | 8.52 | Effective concentration of compound to inhibit human immunodeficiency virus HIV-... | 15715487 |
| Human immunodeficiency virus 1 | EC50 | = | 500.0 | nM | 6.3 | Effective concentration of compound to inhibit human immunodeficiency virus HIV-... | 15715487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715487 | 10.1021/jm040845b | Human immunodeficiency virus 1 | 6 |
| 15715487 | 10.1021/jm040845b | Human immunodeficiency virus 2 | 3 |
| 15715487 | 10.1021/jm040845b | CCRF-CEM | 1 |
| 15715487 | 10.1021/jm040845b | MT4 | 1 |
Data from ChEMBL 36 via Core Engine