Compound Detail
CHEMBL241657
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 | CHEMBL241657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRXHJPHGYAJOIF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
3.25
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
EC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.38 | 4.945 | 4221.0 | 2 |
| Transthyretin CHEMBL3194 | IC50 | 4.96 | 4.96 | 10957.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 10957.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4221.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Transthyretin | IC50 | = | 10957.0 | nM | 4.96 | FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 smal... | - |
| Unchecked | IC50 | = | 10957.0 | nM | 4.96 | The FP assay: The FP assay was then adapted for HTS and used to screen a 120,00... | - |
| Transthyretin | IC50 | = | 10957.0 | nM | 4.96 | Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... | - |
| Unchecked | EC50 | = | 30710.0 | nM | 4.51 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948976 | 10.1021/jm0700159 | Transthyretin | 2 |
Data from ChEMBL 36 via Core Engine