Compound Detail
CHEMBL1210565
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O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL1210565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYVKGJZWVPVBK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.9
MW (Da)
5.55
ALogP
3
HBA
1
HBD
65.5
PSA (Ų)
0.48
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 8.4 | 7.51 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potenti... | 20580233 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 42.0 | nM | 7.38 | Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potenti... | 20580233 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 176.0 | nM | 6.75 | Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potenti... | 20580233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20580233 | 10.1016/j.bmcl.2010.06.012 | Rattus norvegicus | 4 |
| 20580233 | 10.1016/j.bmcl.2010.06.012 | Voltage-dependent T-type calcium channel subunit alpha-1H | 3 |
| 20580233 | 10.1016/j.bmcl.2010.06.012 | Plasma | 2 |
Data from ChEMBL 36 via Core Engine