Compound Detail
CHEMBL2331577
THAILANSTATIN C Enter ChEMBL ID:
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CC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)C[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL2331577 |
| Name | THAILANSTATIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUEAQIHFZAHMMU-WEDQMBCXSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
600.1
MW (Da)
3.28
ALogP
8
HBA
4
HBD
151.6
PSA (Ų)
0.11
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK-293T CHEMBL3706568 | IC50 | 7.19 | 7.19 | 64.7 | 1 |
| MES-SA CHEMBL614343 | IC50 | 6.86 | 6.86 | 136.7 | 1 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 6.53 | 6.53 | 298.5 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.17 | 5.17 | 6840.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 25.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK-293T | IC50 | = | 64.7 | nM | 7.19 | Cytotoxicity against HEK293T cells assessed as inhibition in cell growth | 33974423 |
| MES-SA | IC50 | = | 136.7 | nM | 6.86 | Cytotoxicity against human MES-SA cells assessed as inhibition in cell growth | 33974423 |
| MES-SA/Dx5 | IC50 | = | 298.5 | nM | 6.53 | Cytotoxicity against human MES-SA/Dx5 cells assessed as inhibition in cell growt... | 33974423 |
| HEK293 | IC50 | = | 6840.0 | nM | 5.17 | Inhibition of Pre-mRNA splicing in human HEK293 cells using p32-labeled CDC14-15... | 23517093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517093 | 10.1021/np300913h | SK-OV-3 | 1 |
| 23517093 | 10.1021/np300913h | MDA-MB-231 | 1 |
| 23517093 | 10.1021/np300913h | NON-PROTEIN TARGET | 1 |
| 23517093 | 10.1021/np300913h | DU-145 | 1 |
| 23517093 | 10.1021/np300913h | HEK293 | 1 |
| 23517093 | 10.1021/np300913h | No relevant target | 1 |
| 33974423 | 10.1021/acs.jnatprod.1c00100 | MES-SA/Dx5 | 1 |
| 33974423 | 10.1021/acs.jnatprod.1c00100 | MES-SA | 1 |
| 33974423 | 10.1021/acs.jnatprod.1c00100 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine