Compound Detail
CHEMBL200899
CALLYSTATIN A Enter ChEMBL ID:
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CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC)/C=C/[C@H]1CC=CC(=O)O1
Basic Information
| ChEMBL ID | CHEMBL200899 |
| Name | CALLYSTATIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPJTWGLLJWBDQW-KMMMXHTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
6.53
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 0.03 | nM | 10.52 | Cytotoxicity against HCT116 human colon cancer cell line | 16271470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16271470 | 10.1016/j.bmcl.2005.09.084 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine