Compound Detail
CHEMBL5619510
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5619510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQQBUTCPDHQVTA-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
540.0
MW (Da)
4.76
ALogP
8
HBA
6
HBD
157.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 7.81 | 7.81 | 15.4 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 7.74 | 7.74 | 18.4 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
| KYSE-450 CHEMBL1075488 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 3.9 | nM | 8.41 | Antiproliferative activity against human MGC-803 cells | 37875056 |
| BGC-823 | IC50 | = | 15.4 | nM | 7.81 | Antiproliferative activity against human BGC-823 cells | 37875056 |
| Histone deacetylase 6 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of HDAC6 (unknown origin) | 37875056 |
| HGC-27 | IC50 | = | 18.4 | nM | 7.74 | Antiproliferative activity against human HGC-27 cells | 37875056 |
| Focal adhesion kinase 1 | IC50 | = | 132.0 | nM | 6.88 | Inhibition of FAK (unknown origin) | 37875056 |
| KYSE-450 | IC50 | = | 182.0 | nM | 6.74 | Antiproliferative activity against human KYSE-450 cells | 37875056 |
| HCT-116 | IC50 | = | 182.0 | nM | 6.74 | Antiproliferative activity against human HCT-116 cells | 37875056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37875056 | 10.1016/j.ejmech.2023.115879 | KYSE-450 | 3 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | HCT-116 | 3 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | MGC-803 | 2 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | BGC-823 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | HGC-27 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 6 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine