Compound Detail
CHEMBL2402276
JATROPHONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2402276 |
| Name | JATROPHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJNNONLDVCCGCA-ZQHAHMAHSA-N |
7
Targets
8
Activities
2
Assay Types
4
PK Parameters
20
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.07
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.71
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 5.71 | 5.71 | 1925.8 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.27 | 5.045 | 5411.1 | 2 |
| HepG2 CHEMBL395 | EC50 | 5.21 | 5.21 | 6091.3 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.21 | 5.21 | 6091.3 | 1 |
| RKO CHEMBL614879 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
| Raji CHEMBL614628 | EC50 | 4.58 | 4.58 | 26041.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.21 | hr | Mus musculus |
| T1/2 | 0.13 | hr | Homo sapiens |
| T1/2 | 0.09 | hr | Mus musculus |
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 1925.8 | nM | 5.71 | Cytotoxicity against human BJ cells after 72 hrs by celltiter-glo assay | 23747806 |
| Plasmodium falciparum | EC50 | = | 5411.1 | nM | 5.27 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 23747806 |
| HEK293 | EC50 | = | 6091.3 | nM | 5.21 | Cytotoxicity against HEK293 cells after 72 hrs by celltiter-glo assay | 23747806 |
| HepG2 | EC50 | = | 6091.3 | nM | 5.21 | Cytotoxicity against human HepG2 cells after 72 hrs by celltiter-glo assay | 23747806 |
| RKO | IC50 | = | 8000.0 | nM | 5.1 | Growth inhibition of human RKO cells after 48 hrs by CCK-8 assay | 30106289 |
| Plasmodium falciparum | EC50 | = | 15015.0 | nM | 4.82 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 23747806 |
| LoVo | IC50 | = | 18600.0 | nM | 4.73 | Growth inhibition of human LoVo cells after 48 hrs by CCK-8 assay | 30106289 |
| Raji | EC50 | = | 26041.7 | nM | 4.58 | Cytotoxicity against human Raji cells after 72 hrs by celltiter-glo assay | 23747806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31084028 | 10.1021/acs.jnatprod.8b01087 | MCF7 | 14 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | KOPN-8 | 14 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | U2OS | 4 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Plasma | 4 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | HMEC | 2 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Plasmodium falciparum | 2 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | B-ALL | 2 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | No relevant target | 1 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | UoC-B1 | 1 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | SEM | 1 |
| 31084028 | 10.1021/acs.jnatprod.8b01087 | SUP-B15 | 1 |
| 30106289 | 10.1021/acs.jnatprod.7b01036 | LoVo | 1 |
| 30106289 | 10.1021/acs.jnatprod.7b01036 | RKO | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | BJ | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | ADMET | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Caco-2 | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Liver microsomes | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Liver | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | Raji | 1 |
| 23747806 | 10.1016/j.ejmech.2013.04.030 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine