Compound Detail
CHEMBL186126
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Basic Information
| ChEMBL ID | CHEMBL186126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKEMGRLKOQAUBU-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.99
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.3 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 100.0 | % | Canis lupus familiaris |
| T1/2 | 6.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 0.11 | nM | 9.96 | Inhibitory activity against alpha v beta-3 receptor using scintillation proximit... | 15369386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369386 | 10.1021/jm049874c | ADMET | 4 |
| 15369386 | 10.1021/jm049874c | Integrin alpha-V/beta-3 | 1 |
| 15369386 | 10.1021/jm049874c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine