Compound Detail
CHEMBL385212
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@H](C(=O)O)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)CN(C2CCCCC2)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL385212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZTDHDDXAFIPTF-TYHOMZRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
965.2
MW (Da)
3.86
ALogP
10
HBA
7
HBD
266.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.8 | nM | 9.1 | Inhibition of microcystin analogues to catalytic subunits of Serine/threonine pr... | 11881984 |
| Serine-threonine protein phosphatase 2A regulatory subunit | IC50 | = | 1.5 | nM | 8.82 | Inhibition of microcystin analogues to catalytic subunits of Serine/threonine pr... | 11881984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881984 | 10.1021/jm010066k | Unchecked | 1 |
| 11881984 | 10.1021/jm010066k | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
Data from ChEMBL 36 via Core Engine