Compound Detail
CHEMBL144686
HOMOBUTEIN 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 | CHEMBL144686 |
| Name | HOMOBUTEIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWFSBUVPIAIXKJ-QHHAFSJGSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.71
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.99 | 4.99 | 10300.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10300.0 | nM | 4.99 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 | 17112640 |
| Plasmodium falciparum | IC50 | = | 10300.0 | nM | 4.99 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 | 17112640 |
| Plasmodium falciparum | IC50 | = | 10300.0 | nM | 4.99 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 20022412 |
| Leishmania donovani | IC50 | = | 16000.0 | nM | 4.8 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
| ADMET | IC50 | = | 31000.0 | nM | 4.51 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
| Nuclear factor NF-kappa-B complex | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of NF-kappaB transactivation in TNF-alpha-stimulated human K562 cells... | 24775915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Plasmodium falciparum | 2 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| 20022412 | 10.1016/j.ejmech.2009.11.022 | Plasmodium falciparum | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| - | 10.1007/s00044-009-9202-z | Mus musculus | 1 |
| 24775915 | 10.1016/j.bmc.2014.03.046 | Nuclear factor NF-kappa-B complex | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Tyrosinase | 1 |
| 32122738 | 10.1016/j.bmcl.2020.127058 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine