Compound Detail
CHEMBL5291291
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
Cc1noc(-c2ccc(CCN3CC[C@@H](Nc4nc5ccccc5n4Cc4ccc(C#N)cc4)C3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL5291291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTUIARCMHNTYKN-AREMUKBSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.04
ALogP
8
HBA
1
HBD
95.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.35 | 6.35 | 448.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human ERG expressed in CHO-K1 cells by Q-patch clamp assay | 36507890 |
| Plasmodium falciparum | IC50 | = | 448.0 | nM | 6.35 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 36507890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36507890 | 10.1021/acs.jmedchem.2c01516 | Plasmodium falciparum | 1 |
| 36507890 | 10.1021/acs.jmedchem.2c01516 | No relevant target | 1 |
| 36507890 | 10.1021/acs.jmedchem.2c01516 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 36507890 | 10.1021/acs.jmedchem.2c01516 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine