Compound Detail
CHEMBL384074
GANBAJUNIN B Enter ChEMBL ID:
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O=C(Cc1ccccc1)Oc1c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c2oc3cc(O)c(O)cc3c2c1OC(=O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL384074 |
| Name | GANBAJUNIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJDLGUWMMXXQOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
694.7
MW (Da)
7.81
ALogP
10
HBA
3
HBD
152.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of DNP7-BSA antigen-induced TNFalpha release in rat RBL-2H3 cells | 16901696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16901696 | 10.1016/j.bmcl.2006.07.068 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine