Compound Detail
CHEMBL2437367
LICOAGRONE Enter ChEMBL ID:
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CC(C)=CCc1cc(C(=O)C2(c3cc(O)c(O)cc3/C=C3\Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2437367 |
| Name | LICOAGRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEJLVLSNRYLDSG-MDCVPAOJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
742.8
MW (Da)
8.71
ALogP
10
HBA
5
HBD
170.8
PSA (Ų)
0.03
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate | 24047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Dual specificity protein phosphatase 3 | 1 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine