Compound Detail
CHEMBL4745479
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CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1=O
Basic Information
| ChEMBL ID | CHEMBL4745479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAKIYYWZCPHTHO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.9
MW (Da)
1.27
ALogP
7
HBA
3
HBD
133.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.1 | 8.66 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.8 | nM | 9.1 | Antiviral activity against wild type HIV1 in presence of 10% FBS | 32389483 |
| Human immunodeficiency virus 1 | EC50 | = | 6.0 | nM | 8.22 | Antiviral activity against HIV1 harboring G140S/Q148H double mutant in presence ... | 32389483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32389483 | 10.1016/j.bmc.2020.115541 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine