Compound Detail
CHEMBL2332431
AERUGIDIOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2332431 |
| Name | AERUGIDIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXQJBPRUTQTCMW-ILXRZTDVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.13
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.45 | 4.45 | 35700.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807 | IC50 | 4.34 | 4.34 | 45900.0 | 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 | = | 35700.0 | nM | 4.45 | Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenol produ... | 23387824 |
| Tyrosine-protein phosphatase non-receptor type 2 | IC50 | = | 45900.0 | nM | 4.34 | Inhibition of TCPTP (unknown origin) assessed as decrease in p-nitrophenol produ... | 23387824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23387824 | 10.1021/np300694a | Tyrosine-protein phosphatase non-receptor type 2 | 2 |
| 23387824 | 10.1021/np300694a | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine