Compound Detail
CHEMBL1254047
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Basic Information
| ChEMBL ID | CHEMBL1254047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVWDURDSFFDEEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
5.71
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme CHEMBL4651321 | Kd | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme | Kd | = | 3300.0 | nM | 5.48 | Binding affinity to heme after 4 hrs by equilibrium binding assay | 20684562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684562 | 10.1021/jm1006484 | Plasmodium berghei | 6 |
| 20684562 | 10.1021/jm1006484 | Plasmodium falciparum | 3 |
| 25593097 | 10.1016/j.bmc.2014.12.018 | Plasmodium falciparum | 3 |
| 20684562 | 10.1021/jm1006484 | ADMET | 2 |
| 20684562 | 10.1021/jm1006484 | Heme | 1 |
| 20684562 | 10.1021/jm1006484 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine