Compound Detail
CHEMBL517216
DYSIDINE Enter ChEMBL ID:
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CC1=CCC[C@H]2[C@@H](C)[C@@](C)(CC3=C(O)C(=O)C=C(NCCS(=O)(=O)O)C3=O)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL517216 |
| Name | DYSIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHKUTKBQEPDLMV-CIVZFWGOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
3.50
ALogP
6
HBA
3
HBD
120.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of cytochalasin B and fMLP-stimulated human neutrophil degranulation ... | 11374954 |
| Phospholipase A2, membrane associated | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human synovial recombinant group 2 secretory phospholipase A2 by l... | 11374954 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of human PTP1B | 19091557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11374954 | 10.1021/np000637w | Neutrophil | 4 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | 3T3-L1 | 3 |
| 11374954 | 10.1021/np000637w | Phospholipase A2, membrane associated | 2 |
| 11374954 | 10.1021/np000637w | ADMET | 2 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | CHO-K1 | 2 |
| 11374954 | 10.1021/np000637w | Acidic phospholipase A2 2 | 1 |
| 11374954 | 10.1021/np000637w | Phospholipase A2, major isoenzyme | 1 |
| 11374954 | 10.1021/np000637w | Phospholipase A2 | 1 |
| 11374954 | 10.1021/np000637w | Cytosolic phospholipase A2 | 1 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19091557 | 10.1016/j.bmcl.2008.11.068 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine