Compound Detail
CHEMBL236491
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Basic Information
| ChEMBL ID | CHEMBL236491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIVQKRXTOFYZCQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
249.7
MW (Da)
3.04
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.32 | 6.05 | 482.9 | 3 |
| HeLa CHEMBL399 | IC50 | 4.95 | 4.95 | 11240.0 | 1 |
| Fermitin family homolog 2 CHEMBL5465266 | IC50 | 3.44 | 3.44 | 362000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 482.9 | nM | 6.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 | 21489789 |
| Plasmodium falciparum | IC50 | = | 640.0 | nM | 6.19 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive e... | 23659857 |
| Plasmodium falciparum | IC50 | = | 2266.4 | nM | 5.64 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 | 21489789 |
| HeLa | IC50 | = | 11240.0 | nM | 4.95 | Cytotoxicity against human HeLa cells after 7 days by MTT assay | 21489789 |
| Fermitin family homolog 2 | IC50 | = | 362000.0 | nM | 3.44 | Inhibition of His6-tagged KIND2 (unknown origin) expressed in Escherichia coli B... | 38039505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21489789 | 10.1016/j.bmcl.2011.03.090 | Plasmodium falciparum | 3 |
| 21489789 | 10.1016/j.bmcl.2011.03.090 | ADMET | 2 |
| 38039505 | 10.1021/acs.jmedchem.3c00877 | Fermitin family homolog 1 | 2 |
| 38039505 | 10.1021/acs.jmedchem.3c00877 | Fermitin family homolog 2 | 2 |
| 19188070 | 10.1016/j.bmc.2009.01.013 | Mycobacterium tuberculosis | 1 |
| 21489789 | 10.1016/j.bmcl.2011.03.090 | HeLa | 1 |
| - | 10.1007/s00044-007-9068-x | Plasmodium falciparum | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | HL-60 | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | Leishmania infantum | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | Trypanosoma cruzi | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | Trypanosoma brucei | 1 |
| 23659857 | 10.1016/j.bmcl.2013.04.026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine