Compound Detail
CHEMBL369530
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Basic Information
| ChEMBL ID | CHEMBL369530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPDONRQJLDDGHH-FXAWDEMLSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.57
ALogP
6
HBA
3
HBD
104.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | mL.min-1.kg-1 | Canis lupus familiaris |
| F | - | % | Canis lupus familiaris |
| T1/2 | - | 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 | = | 0.24 | nM | 9.62 | Inhibition of 2(S)-(4-125I-benzenesulphonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1... | 15745815 |
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | In vitro inhibition of mouse osteoblast-like 1.8 cells transformation into osteo... | 15745815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745815 | 10.1016/j.bmcl.2005.01.051 | ADMET | 3 |
| 15745815 | 10.1016/j.bmcl.2005.01.051 | Integrin alpha-V/beta-3 | 1 |
| 15745815 | 10.1016/j.bmcl.2005.01.051 | Unchecked | 1 |
| 15745815 | 10.1016/j.bmcl.2005.01.051 | Integrin alpha-IIb/beta-3 | 1 |
| 15745815 | 10.1016/j.bmcl.2005.01.051 | No relevant target | 1 |
| 15745815 | 10.1016/j.bmcl.2005.01.051 | Integrin alpha-V | 1 |
Data from ChEMBL 36 via Core Engine