Compound Detail
CHEMBL3786251
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Basic Information
| ChEMBL ID | CHEMBL3786251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPKUAABJFWRBSN-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.16
ALogP
7
HBA
1
HBD
107.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.22 | 5.98 | 600.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against subtype B X4 tropic HIV1 3B infected in GFP-positive ... | 26878150 |
| Human immunodeficiency virus 1 | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against subtype A R5 tropic HIV1 97USSN54 infected in GFP-pos... | 26878150 |
| Human immunodeficiency virus 1 | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against maraviroc-resistant HIV1 BAL R5 harboring envelop V3 ... | 26878150 |
| Human immunodeficiency virus 1 | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against NNRTI-resistance HIV1 E00443 harboring reverse transc... | 26878150 |
| Human immunodeficiency virus 1 | EC50 | = | 1400.0 | nM | 5.85 | Antiviral activity against PI-resistant HIV1 isolate 2948 harboring protease G48... | 26878150 |
| Human immunodeficiency virus 1 | EC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against INI-resistant HIV1 isolate 11845 harboring integrase ... | 26878150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26878150 | 10.1021/acs.jmedchem.5b01357 | Human immunodeficiency virus 1 | 8 |
| 26878150 | 10.1021/acs.jmedchem.5b01357 | CCRF-CEM | 6 |
| 26878150 | 10.1021/acs.jmedchem.5b01357 | ADMET | 6 |
Data from ChEMBL 36 via Core Engine