Compound Detail
CHEMBL236603
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C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(-n3cc(CO)nn3)nccc12
Basic Information
| ChEMBL ID | CHEMBL236603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDDVJFSVJBPFPK-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
1.17
ALogP
8
HBA
2
HBD
137.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 250.0 | nM | 6.6 | Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5... | 18052117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052117 | 10.1021/jm070650e | Human immunodeficiency virus 1 | 1 |
| 18052117 | 10.1021/jm070650e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine