Compound Detail
CHEMBL3685652
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Basic Information
| ChEMBL ID | CHEMBL3685652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMBRXIUZLCCHIY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
3.68
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin-linked protein kinase CHEMBL5247 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin-linked protein kinase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of full-length recombinant human GST-tagged ILK1 expressed in baculov... | - |
| Integrin-linked protein kinase | IC50 | = | 40.0 | nM | 7.4 | In Vitro Ezyme Assay: 5 uL of each compound dilution were robotically pipetted t... | - |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Cytoprotective activity against PAN-induced toxicity in mouse K5P5 cells assesse... | - |
Data from ChEMBL 36 via Core Engine