Compound Detail
CHEMBL100350
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Basic Information
| ChEMBL ID | CHEMBL100350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXIFDERYVOQAKL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
433.7
MW (Da)
5.82
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.35 | 5.685 | 445.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.22 | 5.22 | 6032.0 | 1 |
| Calcium release-activated calcium channel protein 1 CHEMBL2384891 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 445.0 | nM | 6.35 | Inhibition of concanavalin A (con A)-induced proliferation of human peripheral b... | 10956206 |
| Homo sapiens | IC50 | = | 6032.0 | nM | 5.22 | Inhibition of interleukin-2 (IL-2) synthesis in human whole blood stimulated by ... | 10956206 |
| Human immunodeficiency virus 1 | IC50 | = | 9603.0 | nM | 5.02 | Inhibition of concanavalin A (con A)-induced proliferation of rat peripheral blo... | 10956206 |
| Calcium release-activated calcium channel protein 1 | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells... | 27856238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956206 | 10.1021/jm990615a | Human immunodeficiency virus 1 | 2 |
| 10956206 | 10.1021/jm990615a | Homo sapiens | 2 |
| 27856238 | 10.1016/j.bmc.2016.11.007 | Calcium release-activated calcium channel protein 1 | 2 |
| 27856238 | 10.1016/j.bmc.2016.11.007 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 27856238 | 10.1016/j.bmc.2016.11.007 | Transient receptor potential cation channel subfamily M member 8 | 1 |
| 27856238 | 10.1016/j.bmc.2016.11.007 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
Data from ChEMBL 36 via Core Engine