Compound Detail
CHEMBL470867
TASPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL470867 |
| Name | TASPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAWKURMWOXCEO-UHFFFAOYSA-N |
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
16
Publications
1
Known Names
Molecular Properties
369.4
MW (Da)
2.61
ALogP
7
HBA
0
HBD
82.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 8.38 | 6.88 | 4.2 | 2 |
| ECV-304 CHEMBL614035 | IC50 | 7.65 | 7.65 | 22.3 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.8 | 4.8 | 15950.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 4.18 | nM | 8.38 | Antiproliferative activity against human A549 cells | 20006929 |
| ECV-304 | IC50 | = | 22.3 | nM | 7.65 | Antiproliferative activity against human ECV304 cells | 20006929 |
| Caco-2 | IC50 | = | 153.0 | nM | 6.82 | Antiproliferative activity against human Caco-2 cells | 20006929 |
| Acetylcholinesterase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of electric eel AChE by Ellman's assay | 16989531 |
| Acetylcholinesterase | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human AChE by Ellman's assay | 16989531 |
| A549 | IC50 | = | 4180.0 | nM | 5.38 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 20304537 |
| A-431 | IC50 | = | 11200.0 | nM | 4.95 | Antiproliferative activity against human A431 cells abnormally expressing EGFR a... | 20304537 |
| HEK293 | IC50 | = | 15950.0 | nM | 4.8 | Antiproliferative activity against human HEK293 cells overexpressing EGFR after ... | 20304537 |
| ADMET | IC50 | = | 22300.0 | nM | 4.65 | Antiproliferative activity against human ECV304 cells after 48 hrs by MTT assay | 20304537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543898 | 10.1021/np9901581 | ADMET | 6 |
| 8350090 | 10.1021/np50096a013 | HUVEC | 4 |
| 10543898 | 10.1021/np9901581 | Unchecked | 3 |
| 20006929 | 10.1016/j.bmcl.2009.11.073 | No relevant target | 3 |
| 22421021 | 10.1016/j.bmcl.2012.02.020 | Nucleic Acid | 3 |
| 16989531 | 10.1021/np060268p | Acetylcholinesterase | 2 |
| 11678668 | 10.1021/np0102859 | Mus musculus | 1 |
| 16989531 | 10.1021/np060268p | Cholinesterase | 1 |
| 20006929 | 10.1016/j.bmcl.2009.11.073 | A549 | 1 |
| 20006929 | 10.1016/j.bmcl.2009.11.073 | Caco-2 | 1 |
| 20006929 | 10.1016/j.bmcl.2009.11.073 | ECV-304 | 1 |
| 20304537 | 10.1016/j.ejmech.2010.03.001 | Caco-2 | 1 |
| 20304537 | 10.1016/j.ejmech.2010.03.001 | A549 | 1 |
| 20304537 | 10.1016/j.ejmech.2010.03.001 | ADMET | 1 |
| 20304537 | 10.1016/j.ejmech.2010.03.001 | HEK293 | 1 |
| 20304537 | 10.1016/j.ejmech.2010.03.001 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine