Compound Detail
CHEMBL1933791
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Basic Information
| ChEMBL ID | CHEMBL1933791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMYBSUDPSPTCKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
60.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Natural resistance-associated macrophage protein 2 CHEMBL1932895 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Natural resistance-associated macrophage protein 2 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human DMT1 expressed in CHO cells assessed as blockage of ferrous ... | 22154351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22154351 | 10.1016/j.bmcl.2011.11.069 | Caco-2 | 2 |
| 22154351 | 10.1016/j.bmcl.2011.11.069 | Natural resistance-associated macrophage protein 2 | 1 |
| 22154351 | 10.1016/j.bmcl.2011.11.069 | No relevant target | 1 |
| 22154351 | 10.1016/j.bmcl.2011.11.069 | ADMET | 1 |
| 22154351 | 10.1016/j.bmcl.2011.11.069 | Cytochrome P450 3A4 | 1 |
| 22154351 | 10.1016/j.bmcl.2011.11.069 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine