Compound Detail
CHEMBL487601
JACEOSIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL487601 |
| Name | JACEOSIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLAAQZFBFGEBPS-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.59
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell CHEMBL614309 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.84 | 11100.0 | 2 |
| Taste receptor type 2 member 31 CHEMBL2034804 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.15 | 4.15 | 70540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | IC50 | = | 5800.0 | nM | 5.24 | Immunosuppressant activity in human T lymphocytes assessed as inhibition of anti... | 31181920 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 1... | 28319389 |
| Unchecked | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of AKT activity in human MM121224 cells harboring BRAF V600E/NRAS Q61... | 35640148 |
| Taste receptor type 2 member 31 | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing c... | 21650152 |
| Unchecked | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of human monoamine oxidase | 20045650 |
| BV-2 | IC50 | = | 27000.0 | nM | 4.57 | Antiinflammatory activity in mouse BV-2 cells assessed as reduction in LPS-induc... | 37683361 |
| THP-1 | IC50 | = | 70540.0 | nM | 4.15 | Cytotoxicity against human THP1 cells after 48 hrs by trypan blue dye exclusion ... | 31784199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28559058 | 10.1016/j.bmc.2017.05.041 | Amyloid-beta precursor protein | 4 |
| 6512542 | 10.1021/np50035a034 | Escherichia coli | 2 |
| 35640148 | 10.1021/acs.jnatprod.2c00146 | Unchecked | 2 |
| 20045650 | 10.1016/j.bmc.2009.12.029 | Unchecked | 1 |
| 22366656 | 10.1016/j.bmcl.2012.01.135 | Nitric oxide synthase, inducible | 1 |
| 21650152 | 10.1021/np200391c | Taste receptor type 2 member 31 | 1 |
| 28559058 | 10.1016/j.bmc.2017.05.041 | PC-12 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | MCF-10A | 1 |
| 31784199 | 10.1016/j.bmc.2019.115180 | THP-1 | 1 |
| 31181920 | 10.1021/acs.jnatprod.8b00791 | T-cell | 1 |
| 38013449 | 10.1021/acs.jnatprod.3c00655 | Alpha-glucosidase | 1 |
| 38013449 | 10.1021/acs.jnatprod.3c00655 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine