Compound Detail
CHEMBL198439
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Basic Information
| ChEMBL ID | CHEMBL198439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZLMDAFSNWYBMD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
2.68
ALogP
3
HBA
5
HBD
127.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.405 | 3900.0 | 2 |
| Vacuolar-type proton translocating pyrophosphatase 1 CHEMBL4386 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of the ATP-mediated HIV1 reverse transcriptase D67N/K70R/T215F/K219Q ... | 18789701 |
| Unchecked | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of the ATP-mediated HIV1 reverse transcriptase D67N/K70R/T215F/K219Q ... | 18789701 |
| Vacuolar-type proton translocating pyrophosphatase 1 | IC50 | = | 28700.0 | nM | 4.54 | Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase ex... | 16162013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18789701 | 10.1016/j.bmc.2008.08.047 | Unchecked | 3 |
| 16162013 | 10.1021/jm058220g | Vacuolar-type proton translocating pyrophosphatase 1 | 1 |
| 18789701 | 10.1016/j.bmc.2008.08.047 | MCF7 | 1 |
| 18789701 | 10.1016/j.bmc.2008.08.047 | SF-268 | 1 |
| 18789701 | 10.1016/j.bmc.2008.08.047 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine