Compound Detail
CHEMBL514883
KNIPHOLONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL514883 |
| Name | KNIPHOLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUENHQWYLVQDQK-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
3.47
ALogP
8
HBA
4
HBD
141.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.97 | 5.662 | 1060.0 | 5 |
| A2780 CHEMBL614004 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1060.0 | nM | 5.97 | Antimalarial activity against Plasmodium falciparum K1 by 96-well microtitre pla... | 33333397 |
| Plasmodium falciparum | IC50 | = | 1100.0 | nM | 5.96 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24326280 |
| Plasmodium falciparum | IC50 | = | 1700.0 | nM | 5.77 | Antimalarial activity against Plasmodium falciparum NF54 by 96-well microtitre p... | 33333397 |
| Plasmodium falciparum | IC50 | = | 4900.0 | nM | 5.31 | Antimalarial activity against multidrug sensitive Plasmodium falciparum HB3 asse... | 26722868 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antimalarial activity against multidrug resistant Plasmodium falciparum NHP1337 ... | 26722868 |
| A2780 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human A2780 cells | 24326280 |
| HeLa | IC50 | = | 32300.0 | nM | 4.49 | Cytotoxicity against human HeLa cells assessed as growth inhibition by sulforhod... | 26722868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12193014 | 10.1021/np0201218 | Plasmodium falciparum | 2 |
| 26722868 | 10.1021/acs.jnatprod.5b00874 | Plasmodium falciparum | 2 |
| 26722868 | 10.1021/acs.jnatprod.5b00874 | ADMET | 2 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 2 |
| 12828488 | 10.1021/np030061l | HSC-2 | 1 |
| 12828488 | 10.1021/np030061l | ADMET | 1 |
| 12193014 | 10.1021/np0201218 | Trypanosoma cruzi | 1 |
| 12193014 | 10.1021/np0201218 | Trypanosoma brucei rhodesiense | 1 |
| 12193014 | 10.1021/np0201218 | L6 | 1 |
| 24326280 | 10.1016/j.bmc.2013.11.032 | Plasmodium falciparum | 1 |
| 24326280 | 10.1016/j.bmc.2013.11.032 | A2780 | 1 |
| 26722868 | 10.1021/acs.jnatprod.5b00874 | Unchecked | 1 |
| 26722868 | 10.1021/acs.jnatprod.5b00874 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine