Compound Detail
CHEMBL1258013
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Basic Information
| ChEMBL ID | CHEMBL1258013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCUQAGKOHMNCIZ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
321.9
MW (Da)
5.01
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 9.1 | 7.8475 | 0.8 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.64 | 8.64 | 2.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Mus musculus |
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 0.8 | nM | 9.1 | Antimalarial activity against atovaquone-resistant clinical isolate Plasmodium f... | 24720377 |
| Plasmodium falciparum | EC50 | = | 1.4 | nM | 8.85 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 MRA... | 24720377 |
| NON-PROTEIN TARGET | EC50 | = | 2.3 | nM | 8.64 | Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 MRA-... | 24720377 |
| Plasmodium falciparum | EC50 | = | 12.3 | nM | 7.91 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 20828199 |
| Plasmodium falciparum | EC50 | = | 2950.0 | nM | 5.53 | Antimalarial activity against chloroquine, mefloquine, pyrimethamine and atovaqu... | 20828199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20828199 | 10.1021/jm1007903 | ADMET | 4 |
| 20828199 | 10.1021/jm1007903 | Plasmodium falciparum | 3 |
| 20828199 | 10.1021/jm1007903 | No relevant target | 2 |
| 24720377 | 10.1021/jm500147k | Plasmodium falciparum | 2 |
| 20828199 | 10.1021/jm1007903 | J774 | 1 |
| 20828199 | 10.1021/jm1007903 | Liver microsomes | 1 |
| 24720377 | 10.1021/jm500147k | NON-PROTEIN TARGET | 1 |
| 24720377 | 10.1021/jm500147k | HepG2 | 1 |
| 24720377 | 10.1021/jm500147k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine