Compound Detail
CHEMBL192984
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Basic Information
| ChEMBL ID | CHEMBL192984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUWGYIKUNIEZHJ-RMKNXTFCSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.11
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.0
IC50 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.29 | 5101.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.0 | 4.9833 | 9976.0 | 3 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5101.0 | nM | 5.29 | Inhibition of rat human chimera TRPV1 channel expressed in CHO cells | 17948977 |
| Unchecked | IC50 | = | 5128.61 | nM | 5.29 | Inhibition of rat human chimera TRPV1 channel expressed in CHO cells | 17948977 |
| Unchecked | EC50 | = | 9976.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 10405.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 10691.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 11700.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634002 | 10.1021/jm049485i | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 17948977 | 10.1021/jm070261k | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine