Compound Detail
CHEMBL1366408
CARMINE Enter ChEMBL ID:
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Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL1366408 |
| Name | CARMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGQLVPJVXFOQEV-NGOCYOHBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
-1.19
ALogP
12
HBA
9
HBD
242.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase 1 CHEMBL4452 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1 | 15050628 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of human PTPase 1B | 15050628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Unchecked | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine