Compound Detail
CHEMBL1835376
LOBOPHYTUMIN C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1835376 |
| Name | LOBOPHYTUMIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOGCGPRBNXVHDX-ZCNNSNEGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.5
MW (Da)
6.45
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.45 | 4.45 | 35660.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.43 | 4.43 | 37100.0 | 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 | = | 7800.0 | nM | 5.11 | Inhibition of GST-tagged human PTP1B expressed in Escherichia coli using pNPP su... | 26960032 |
| A549 | IC50 | = | 35660.0 | nM | 4.45 | Cytotoxicity against human A549 cells by MTT assay | 21954851 |
| HCT-116 | IC50 | = | 37100.0 | nM | 4.43 | Cytotoxicity against human HCT116 cells by SRB assay | 21954851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21954851 | 10.1021/np2003325 | A549 | 1 |
| 21954851 | 10.1021/np2003325 | HCT-116 | 1 |
| 26960032 | 10.1021/acs.jnatprod.5b01128 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine