Compound Detail
CHEMBL499587
GERANIN B Enter ChEMBL ID:
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Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc(O)cc5O[C@@](c5ccc(O)c(O)c5)(O4)[C@@H]3O)C[C@@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL499587 |
| Name | GERANIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVKLXAPXNKDQGB-TXZJYACMSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
560.5
MW (Da)
3.09
ALogP
11
HBA
8
HBD
189.5
PSA (Ų)
0.17
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.64
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Placenta growth factor CHEMBL1697671 | Kd | 7.64 | 7.64 | 23.0 | 1 |
| Vascular endothelial growth factor A, long form CHEMBL1783 | Kd | 7.32 | 7.32 | 48.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Placenta growth factor | Kd | = | 23.0 | nM | 7.64 | Binding affinity to recombinant PIGF1 (unknown origin) measured for 60 seconds b... | 23268742 |
| Vascular endothelial growth factor A, long form | Kd | = | 48.0 | nM | 7.32 | Binding affinity to recombinant VEGFA (unknown origin) measured for 60 seconds b... | 23268742 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of recombinant VEGF-A/VEGFR-1 (unknown origin) interaction after 1 hr... | 23268742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346950 | 10.1021/np980467b | Giardia intestinalis | 1 |
| 10346950 | 10.1021/np980467b | Entamoeba histolytica | 1 |
| 10346950 | 10.1021/np980467b | MCF7 | 1 |
| 10346950 | 10.1021/np980467b | HT-29 | 1 |
| 10346950 | 10.1021/np980467b | A549 | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 23268742 | 10.1021/np300614u | MCF7 | 1 |
| 23268742 | 10.1021/np300614u | Jurkat | 1 |
| 23268742 | 10.1021/np300614u | Vascular endothelial growth factor A, long form | 1 |
| 23268742 | 10.1021/np300614u | Placenta growth factor | 1 |
| 23268742 | 10.1021/np300614u | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine