Compound Detail
CHEMBL3597542
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Basic Information
| ChEMBL ID | CHEMBL3597542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBFAZZXBOAKXHR-FLIBITNWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.37
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Kd 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Heme oxygenase CHEMBL1075209 | Kd | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | EC50 | = | 2410.0 | nM | 5.62 | Antiviral activity against HIV 3B infected in human MT4 cells assessed as inhibi... | 25999203 |
| Heme oxygenase | Kd | = | 23000.0 | nM | 4.64 | Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quench... | 29459206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25999203 | 10.1016/j.bmc.2015.04.072 | Human immunodeficiency virus type 1 integrase | 2 |
| 25999203 | 10.1016/j.bmc.2015.04.072 | Human immunodeficiency virus | 1 |
| 25999203 | 10.1016/j.bmc.2015.04.072 | Unchecked | 1 |
| 29459206 | 10.1016/j.bmcl.2018.02.027 | Heme oxygenase | 1 |
Data from ChEMBL 36 via Core Engine