Compound Detail
CHEMBL316621
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
O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1
Basic Information
| ChEMBL ID | CHEMBL316621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OICQNCXLWKPHIR-PDWCTOEPSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
0.55
ALogP
5
HBA
2
HBD
104.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21536433 | 10.1016/j.bmcl.2011.04.031 | ADMET | 2 |
| 11677131 | 10.1016/s0960-894x(01)00594-7 | Protein phosphatase 1B | 1 |
| 11677131 | 10.1016/s0960-894x(01)00594-7 | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 11677131 | 10.1016/s0960-894x(01)00594-7 | Unchecked | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | DU-145 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | A-431 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | NCI-H460 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | A2780 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | MCF7 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | SW480 | 1 |
| 21536433 | 10.1016/j.bmcl.2011.04.031 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine