Compound Detail
CHEMBL495849
JABOTICABIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL495849 |
| Name | JABOTICABIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFLJQGHNYLKTBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
1.44
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.29 | 4.29 | 51400.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 51400.0 | nM | 4.29 | Antiradical activity assessed as DPPH radical scavenging activity | 16933884 |
| HT-29 | IC50 | = | 65000.0 | nM | 4.19 | Cytotoxicity against human HT-29 cells after 72 hrs | 16933884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16933884 | 10.1021/np0600999 | Unchecked | 2 |
| 16933884 | 10.1021/np0600999 | No relevant target | 1 |
| 16933884 | 10.1021/np0600999 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine