Compound Detail
CHEMBL458705
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Basic Information
| ChEMBL ID | CHEMBL458705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKBFVIHBRHJYKX-TWGQIWQCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.48
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 420.0 | nM | 6.38 | Antiviral activity against Chikungunya virus LR2006_OPY1 infected in african gre... | 25462237 |
| Arylamine N-acetyltransferase 1 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using ... | 19059786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 1 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Unchecked | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase | 1 |
| 25462237 | 10.1016/j.ejmech.2014.10.042 | NON-PROTEIN TARGET | 1 |
| 25462237 | 10.1016/j.ejmech.2014.10.042 | Vero | 1 |
Data from ChEMBL 36 via Core Engine