Compound Detail
CHEMBL275907
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CN1C2C=CC1/C(c1ccc(C(=O)O)cc1)=c1/cc/c([nH]1)=C(\c1ccc(C(=O)O)cc1)C1=N/C(=C(/c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1
Basic Information
| ChEMBL ID | CHEMBL275907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJVCONHEUFNCRK-JFDCWINTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
806.8
MW (Da)
6.30
ALogP
7
HBA
5
HBD
192.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.11 | 6.11 | 774.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 774.0 | nM | 6.11 | Inhibition of HIV-1 P24 production. | 8164251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164251 | 10.1021/jm00034a007 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine