Compound Detail
CHEMBL1643580
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Basic Information
| ChEMBL ID | CHEMBL1643580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINTYWDESNGCQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.56
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 4200.0 | nM | 5.38 | Growth inhibition of HUVEC cells after 20 hrs by MTT assay | 21145750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21145750 | 10.1016/j.bmc.2010.11.010 | HUVEC | 5 |
| 21145750 | 10.1016/j.bmc.2010.11.010 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine