Compound Detail
CHEMBL174827
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Basic Information
| ChEMBL ID | CHEMBL174827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGHFQZVFUHGQDW-PTGBLXJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.86
ALogP
8
HBA
1
HBD
103.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.76 | 17170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17170.0 | nM | 4.76 | Inhibition of L-type calcium channel subunits alpha1C, beta1b, and alpha2-delta ... | 12502362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502362 | 10.1021/jm020354w | Unchecked | 3 |
| 23063517 | 10.1016/j.bmc.2012.09.022 | ATP-dependent translocase ABCB1 | 1 |
| 23063517 | 10.1016/j.bmc.2012.09.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine