Compound Detail
CHEMBL1254709
DM-1157 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL1254709 |
| Name | DM-1157 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | QRCZXFIANKOFOR-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
4
Known Names
1
Indications
Molecular Properties
487.1
MW (Da)
5.32
ALogP
6
HBA
2
HBD
66.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Malaria
Activity Summary
IC50 4 meas. best 9.05
Kd 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.05 | 8.9667 | 0.9 | 3 |
| No relevant target CHEMBL2362975 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Heme CHEMBL4651321 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.9 | nM | 9.05 | Antimalarial activity against Plasmodium falciparum D6 assessed as inhibition of... | 25913864 |
| Plasmodium falciparum | IC50 | = | 0.9 | nM | 9.05 | Antiplasmodial activity against Plasmodium falciparum FC27 assessed as inhibitio... | 37236020 |
| Plasmodium falciparum | IC50 | = | 1.6 | nM | 8.8 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... | 25913864 |
| No relevant target | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of beta-hematin formation | 25913864 |
| Heme | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to heme after 4 hrs by equilibrium binding assay | 20684562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684562 | 10.1021/jm1006484 | Plasmodium falciparum | 10 |
| 20684562 | 10.1021/jm1006484 | Plasmodium berghei | 8 |
| 20684562 | 10.1021/jm1006484 | ADMET | 2 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 2 |
| 20684562 | 10.1021/jm1006484 | Mus musculus | 1 |
| 20684562 | 10.1021/jm1006484 | Heme | 1 |
| 20684562 | 10.1021/jm1006484 | Unchecked | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | No relevant target | 1 |
| 25593097 | 10.1016/j.bmc.2014.12.018 | Plasmodium berghei | 1 |
| 37236020 | 10.1016/j.bmc.2023.117339 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine