Compound Detail
CHEMBL5410465
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
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)N(C)C6=O)C7=O)CC5)CC4)cc3)ncn2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL5410465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGNNGQYXFVLGDT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
913.8
MW (Da)
5.52
ALogP
13
HBA
2
HBD
190.2
PSA (Ų)
0.19
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H716 CHEMBL2366106 | IC50 | 7.0 | 7.0 | 99.5 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 6.97 | 6.97 | 107.6 | 1 |
| KATO III stomach cancer cell line CHEMBL612700 | IC50 | 6.3 | 6.3 | 497.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H716 | IC50 | = | 99.5 | nM | 7.0 | Antiproliferative activity against human NCI-H716 cells assessed as reduction in... | 37220310 |
| SNU-16 | IC50 | = | 107.6 | nM | 6.97 | Antiproliferative activity against human SNU-16 cells assessed as reduction in c... | 37220310 |
| KATO III stomach cancer cell line | IC50 | = | 497.3 | nM | 6.3 | Antiproliferative activity against human KATO III stomach cancer cell line asses... | 37220310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37220310 | 10.1021/acs.jmedchem.3c00150 | Protein cereblon/FGFR2 | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | KATO III stomach cancer cell line | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | SNU-16 | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | NCI-H716 | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | NCI-H1975 | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | MV4-11 | 1 |
| 37220310 | 10.1021/acs.jmedchem.3c00150 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine