Compound Detail
CHEMBL1254294
JACAREUBIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1254294 |
| Name | JACAREUBIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCLUVPCGXYTYEK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
3.25
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.58 | 4.58 | 26300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human HL60 cells after 48 hrs by CCK8 assay | 29475587 |
| HeLa | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay | 29475587 |
| No relevant target | EC50 | = | 26300.0 | nM | 4.58 | Antioxidant activity assessed as H2O2 scavenging activity after 15 mins | 25625705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20594858 | 10.1016/j.bmc.2010.06.014 | Unchecked | 7 |
| 25625705 | 10.1021/np5007873 | No relevant target | 5 |
| 20594858 | 10.1016/j.bmc.2010.06.014 | HeLa | 2 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HeLa | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | NIH3T3 | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | HL-60 | 1 |
| 29475587 | 10.1016/j.bmcl.2018.02.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine