Compound Detail
CHEMBL377039
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Basic Information
| ChEMBL ID | CHEMBL377039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSZDTRUARSJOQV-UHFFFAOYSA-N |
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
3.53
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.66 | 6.6511 | 22.0 | 9 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 22.0 | nM | 7.66 | Antiviral activity against HIV1 F227L mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 57.0 | nM | 7.24 | Antiviral activity against HIV1 | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 63.0 | nM | 7.2 | Antiviral activity against HIV1 L100I mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 85.0 | nM | 7.07 | Antiviral activity against HIV1 I135V mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 91.0 | nM | 7.04 | Antiviral activity against HIV1 E138K mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 210.0 | nM | 6.68 | Antiviral activity against HIV1 Y181H mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 901.0 | nM | 6.04 | Antiviral activity against HIV1 Y181S mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 2941.0 | nM | 5.53 | Antiviral activity against HIV1 V106A mutant | 16782337 |
| Human immunodeficiency virus 1 | EC50 | = | 3953.0 | nM | 5.4 | Antiviral activity against HIV1 V179E mutant | 16782337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16782337 | 10.1016/j.bmcl.2006.05.073 | Human immunodeficiency virus 1 | 12 |
| 16782337 | 10.1016/j.bmcl.2006.05.073 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine