Compound Detail
CHEMBL1824865
INFLATIN F Enter ChEMBL ID:
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COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL1824865 |
| Name | INFLATIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGCDOVOCJQXOOK-NVXFIYROSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
3.37
ALogP
9
HBA
0
HBD
106.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.24 | 4.24 | 57500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 57500.0 | nM | 4.24 | Cytotoxicity against human Hep3B2 cells after 72 hrs by MTS assay | 21812410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21812410 | 10.1021/np200431k | NON-PROTEIN TARGET | 4 |
| 21812410 | 10.1021/np200431k | A549 | 1 |
| 21812410 | 10.1021/np200431k | A-375 | 1 |
| 21812410 | 10.1021/np200431k | MCF7 | 1 |
| 21812410 | 10.1021/np200431k | PANC-1 | 1 |
| 21812410 | 10.1021/np200431k | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine