Compound Detail
CHEMBL551898
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C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cnco2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL551898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRPWSAQQZHADIW-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
3.55
ALogP
5
HBA
0
HBD
83.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.63 | 6.63 | 236.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 236.0 | nM | 6.63 | Inhibition of HIV1 3B recombinant gp120/sCD4 binding interaction by ELISA | 19534463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534463 | 10.1021/jm900330x | Human immunodeficiency virus 1 | 1 |
| 19534463 | 10.1021/jm900330x | Unchecked | 1 |
| 19534463 | 10.1021/jm900330x | ADMET | 1 |
Data from ChEMBL 36 via Core Engine