Compound Detail
CHEMBL61257
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 | CHEMBL61257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAPMLUQRTGRJST-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.19
ALogP
7
HBA
3
HBD
98.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| C6 CHEMBL614657 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 24.0 | nM | 7.62 | Ability to prevent phosphorylation of avian c-Src TK | 11384237 |
| Fibroblast growth factor receptor 1 | IC50 | = | 53.0 | nM | 7.28 | Ability to prevent phosphorylation of human fibroblast growth factor receptor 1 | 11384237 |
| Platelet-derived growth factor receptor beta | IC50 | = | 420.0 | nM | 6.38 | Ability to prevent phosphorylation of isolated mouse PDGF receptor beta | 11384237 |
| HT-29 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human colon carcinoma HT-29 cell proliferation | 11384237 |
| SW-620 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human colon carcinoma SW-620 cell proliferation | 11384237 |
| C6 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of C-6 rat glioma cell proliferation | 11384237 |
| HCT-8 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of human colon carcinoma HCT-8 cell proliferation | 11384237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384237 | 10.1021/jm0004291 | Platelet-derived growth factor receptor beta | 1 |
| 11384237 | 10.1021/jm0004291 | Fibroblast growth factor receptor 1 | 1 |
| 11384237 | 10.1021/jm0004291 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11384237 | 10.1021/jm0004291 | HCT-8 | 1 |
| 11384237 | 10.1021/jm0004291 | SW-620 | 1 |
| 11384237 | 10.1021/jm0004291 | HT-29 | 1 |
| 11384237 | 10.1021/jm0004291 | C6 | 1 |
Data from ChEMBL 36 via Core Engine