Compound Detail
CHEMBL229082
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Basic Information
| ChEMBL ID | CHEMBL229082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INDMTPBIQLWRLM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.2
MW (Da)
5.29
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 88000.0 | nM | 4.06 | Cytotoxicity against HUVEC after 24 hrs by MTT assay | 17591441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17591441 | 10.1016/j.bmcl.2007.05.104 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine