Compound Detail
CHEMBL4459020
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C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c1ccc1cccnc12
Basic Information
| ChEMBL ID | CHEMBL4459020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDDRUPKYDAELNK-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.27
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against ENV pseudotyped HIV1 JFRL infected in human HeLa67 ce... | 30940396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940396 | 10.1016/j.bmcl.2019.03.018 | MT2 | 1 |
| 30940396 | 10.1016/j.bmcl.2019.03.018 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine