Compound Detail
CHEMBL493000
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O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)c(F)c(F)c(F)c12
Basic Information
| ChEMBL ID | CHEMBL493000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDEQBANKDGSIBF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
73.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.77 | 8.77 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1.7 | nM | 8.77 | Antiviral activity against pseudotype HIV1 JRFL infected in human HeLa67 cells e... | 19251416 |
| Unchecked | EC50 | = | 1.7 | nM | 8.77 | Inhibition of HIV1 gp120 binding to CD4 in human HeLa cells by cell fusion assay | 20149491 |
| Unchecked | EC50 | = | 1.698 | nM | 8.77 | Inhibition of HIV1 gp120 binding to CD4 in human HeLa cells by cell fusion assay | 20149491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149491 | 10.1016/j.ejmech.2010.01.011 | Unchecked | 2 |
| 19251416 | 10.1016/j.bmcl.2009.02.040 | Human immunodeficiency virus 1 | 1 |
| 19251416 | 10.1016/j.bmcl.2009.02.040 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine