Compound Detail
CHEMBL1770750
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Basic Information
| ChEMBL ID | CHEMBL1770750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSHJZXZIAWBGCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.77
ALogP
3
HBA
1
HBD
18.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acid-sensing ion channel 3 CHEMBL5368 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acid-sensing ion channel 3 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human ASIC3 expressed in HEK293 cells assessed as inhibition of ac... | 21257308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Plasma | 2 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Acid-sensing ion channel 3 | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | No relevant target | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Cytochrome P450 3A4 | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Cytochrome P450 2C9 | 1 |
| 21257308 | 10.1016/j.bmcl.2010.12.115 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine