Compound Detail
CHEMBL4585920
TP-020n Enter ChEMBL ID:
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Nc1cnc(N2CCc3cc(S(=O)(=O)Nc4c(F)cc(Cl)cc4F)cc(N4CCCC4=O)c32)nc1
Basic Information
| ChEMBL ID | CHEMBL4585920 |
| Name | TP-020n |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBCFKMYFTAVDHK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
3.61
ALogP
7
HBA
2
HBD
121.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2375203 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 5.48 | 5.48 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 530.0 | nM | 6.28 | RapidFire/MS assay (mouse MGAT2) | - |
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | Selectivity interaction (RapidFire MS assay (using full-length mouse protein MGA... | - |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 3300.0 | nM | 5.48 | RapidFire/MS assay (human MGAT2) | - |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | IC50 | = | 3300.0 | nM | 5.48 | Affinity Biochemical interaction: (RapidFire/MS assayxc2xa0(using full-length hu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5465560 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507302 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL4507302 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5465560 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507302 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL5465560 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL5465560 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507302 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4507302 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL5465560 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 9 |
| - | 10.6019/CHEMBL4507302 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 5 |
| - | 10.6019/CHEMBL4507302 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL5465560 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL5465560 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine