Compound Detail
CHEMBL1240753
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Basic Information
| ChEMBL ID | CHEMBL1240753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTDZYJPNFDIGTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.7
MW (Da)
4.86
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.02 | 4.02 | 94600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 94600.0 | nM | 4.02 | Inhibition of HUVEC cell adhesion to collagen at 15 uM after 1 hr | 20554355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20554355 | 10.1016/j.ejmech.2010.05.043 | HUVEC | 6 |
| 20554355 | 10.1016/j.ejmech.2010.05.043 | NON-PROTEIN TARGET | 1 |
| 20554355 | 10.1016/j.ejmech.2010.05.043 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine