Compound Detail
CHEMBL4435596
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Basic Information
| ChEMBL ID | CHEMBL4435596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QANXJBIOBLNORO-TYKWCNGQSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
4.24
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 6 CHEMBL1628465 | IC50 | 7.3 | 6.9 | 50.0 | 2 |
| T47D CHEMBL614361 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 6 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction in Cd2... | 33479695 |
| Transient receptor potential cation channel subfamily V member 6 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction of Cd2... | 31531207 |
| T47D | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human T47D cells assessed as cell growth inhi... | 33479695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479695 | 10.1039/d0md00145g | Transient receptor potential cation channel subfamily V member 6 | 3 |
| 33479695 | 10.1039/d0md00145g | Unchecked | 3 |
| 33479695 | 10.1039/d0md00145g | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 33479695 | 10.1039/d0md00145g | T47D | 2 |
| 33479695 | 10.1039/d0md00145g | HEK293 | 2 |
| 31531207 | 10.1021/acsmedchemlett.9b00298 | Transient receptor potential cation channel subfamily V member 6 | 1 |
| 31104785 | 10.1016/j.bmc.2019.05.020 | Transient receptor potential cation channel subfamily V member 6 | 1 |
| 33479695 | 10.1039/d0md00145g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 33479695 | 10.1039/d0md00145g | ADMET | 1 |
| 33479695 | 10.1039/d0md00145g | MCF7 | 1 |
| 33479695 | 10.1039/d0md00145g | MDA-MB-231 | 1 |
| 33479695 | 10.1039/d0md00145g | SK-OV-3 | 1 |
| 33479695 | 10.1039/d0md00145g | Transient receptor potential cation channel subfamily V member 5 | 1 |
Data from ChEMBL 36 via Core Engine