Compound Detail
CHEMBL3115350
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N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4nc(N5CC(CN)C5)ccc34)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL3115350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYNAKJBNXYFGFD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.9
MW (Da)
3.90
ALogP
8
HBA
2
HBD
125.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of HIV wild-type reverse transcriptase by electrochemiluminescence as... | 24412110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412110 | 10.1016/j.bmcl.2013.12.070 | No relevant target | 1 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Human immunodeficiency virus | 1 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine