Compound Detail
CHEMBL505370
OBLONGIFOLIN B Enter ChEMBL ID:
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CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL505370 |
| Name | OBLONGIFOLIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRJWRFOMKSOZGO-KMIQQCGBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
9.06
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of tubulin assembly | 16724839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19113969 | 10.1021/np800496c | Unchecked | 3 |
| 16724839 | 10.1021/np050543s | Unchecked | 2 |
| 20058933 | 10.1021/np9004147 | ADMET | 2 |
| 20058933 | 10.1021/np9004147 | HT-29 | 1 |
| 20058933 | 10.1021/np9004147 | HCT-116 | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | HeLa | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | SGC-7901 | 1 |
| 32791400 | 10.1016/j.ejmech.2020.112646 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine