Compound Detail
CHEMBL167975
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL167975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDLOBPWBPRYOTP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
2.17
ALogP
5
HBA
2
HBD
110.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 4.33 | 4.33 | 46620.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2830 | IC50 | 4.24 | 4.24 | 58100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1580.0 | nM | 5.8 | Antihypertensive activity when administered orally to spontaneously hypertensive... | 1995904 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 46620.0 | nM | 4.33 | Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-... | 23688558 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 58100.0 | nM | 4.24 | Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alp... | 23688558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995904 | 10.1021/jm00106a048 | Rattus norvegicus | 3 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Unchecked | 1 |
| 27017551 | 10.1016/j.ejmech.2016.03.022 | Leishmania major | 1 |
Data from ChEMBL 36 via Core Engine