Compound Detail
CHEMBL12947
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O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)C3C=CC2N3)cc1
Basic Information
| ChEMBL ID | CHEMBL12947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOBDRBLDQSIYHR-QGCBMQFQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
783.2
MW (Da)
6.92
ALogP
6
HBA
5
HBD
164.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.12 | 6.12 | 758.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 758.0 | nM | 6.12 | 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