Compound Detail
CHEMBL408702
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Basic Information
| ChEMBL ID | CHEMBL408702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFBXJAYFPJYHPU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
2.38
ALogP
8
HBA
1
HBD
105.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroidogenic factor 1 CHEMBL4666 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.65 | 5.325 | 2230.0 | 2 |
| J774.A1 CHEMBL614040 | IC50 | 5.31 | 5.31 | 4933.6 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroidogenic factor 1 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of GAL4-tagged NR5A1 by luciferase assay | 18374567 |
| Unchecked | IC50 | = | 2230.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| J774.A1 | IC50 | = | 4933.6 | nM | 5.31 | PUBCHEM_BIOASSAY: Confirmation of image-based Screening Assay for Inhibitors of ... | - |
| Unchecked | IC50 | = | 9880.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 11400.0 | nM | 4.94 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit HePTP - Set 2. (Class o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Steroidogenic factor 1 | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Nuclear receptor ROR-alpha | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine