Compound Detail
CHEMBL291117
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Basic Information
| ChEMBL ID | CHEMBL291117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUGIGZGPNISFRF-WYMAPRSLSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.88
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 7.5 | 10.0 | 2 |
| V-type proton ATPase 116 kDa subunit a 1 CHEMBL2683 | IC50 | 7.0 | 6.0733 | 100.0 | 3 |
| V-type proton ATPase subunit B, kidney isoform CHEMBL3217 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibition of bone resorption by isolated Human osteoclastoma cells (EL... | 9572882 |
| V-type proton ATPase 116 kDa subunit a 1 | IC50 | = | 100.0 | nM | 7.0 | Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc) | 9572882 |
| V-type proton ATPase subunit B, kidney isoform | IC50 | = | 100.0 | nM | 7.0 | Compound was tested for inhibition of V-ATPase from human kidney cortex(hK) | 9572882 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of bone resorption by isolated Human osteoclastoma cells by ... | 9572882 |
| V-type proton ATPase 116 kDa subunit a 1 | IC50 | = | 200.0 | nM | 6.7 | Compound was tested for inhibition of V-ATPase from Chicken adrenal glands(cAG) | 9572882 |
| V-type proton ATPase 116 kDa subunit a 1 | IC50 | = | 30000.0 | nM | 4.52 | Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc) | 9572882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572882 | 10.1021/jm9800144 | V-type proton ATPase 116 kDa subunit a 1 | 3 |
| 9572882 | 10.1021/jm9800144 | Unchecked | 2 |
| 9572882 | 10.1021/jm9800144 | V-type proton ATPase subunit B, kidney isoform | 1 |
Data from ChEMBL 36 via Core Engine