Compound Detail
CHEMBL4635646
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4635646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLDSAPKKTAWHGH-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
3.96
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
EC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.82 | 7.59 | 15.0 | 4 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of N-terminal His6-tagged Plasmodium vivax DHODH expressed in Escheri... | 32248693 |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Plasmodium vivax DHODH expressed in Escherichia coli BL21-DE3 usin... | 33876936 |
| Plasmodium falciparum | EC50 | = | 16.0 | nM | 7.8 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human red bl... | 32248693 |
| Plasmodium falciparum | EC50 | = | 16.0 | nM | 7.8 | Antimalarial activity against drug-resistant Plasmodium falciparum 3D7 infected ... | 33876936 |
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | Inhibition of N-terminal His6-tagged Plasmodium falciparum DHODH expressed in Es... | 32248693 |
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21-DE3... | 33876936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Unchecked | 3 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 3 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | No relevant target | 2 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | ADMET | 2 |
| 33876936 | 10.1021/acs.jmedchem.1c00173 | Unchecked | 2 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Plasmodium falciparum | 1 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Albumin | 1 |
| 33876936 | 10.1021/acs.jmedchem.1c00173 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 33876936 | 10.1021/acs.jmedchem.1c00173 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine