Compound Detail
CHEMBL475903
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Basic Information
| ChEMBL ID | CHEMBL475903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWDLBNCJWNENFF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL9946 |
| Active Moiety | CHEMBL9946 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
5.59
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 CHEMBL1800 | Ki | 8.8 | 8.685 | 1.6 | 2 |
| Translocator protein CHEMBL5742 | Ki | 5.73 | 5.73 | 1879.3 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.67 | 5.67 | 2119.6 | 1 |
| N-formyl peptide receptor 3 CHEMBL5646 | IC50 | 5.29 | 5.29 | 5150.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 1 | Ki | = | 1.6 | nM | 8.8 | Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing fac... | 10669572 |
| Corticotropin-releasing factor receptor 1 | Ki | = | 2.7 | nM | 8.57 | binding affinity for human CRF1 receptor in IMR32 neuroblastoma cells | 10794681 |
| Translocator protein | Ki | = | 1879.32 | nM | 5.73 | PDSP Secondary Binding target: TSPO - Compounds are tested at 10 uM concentratio... | - |
| Sigma intracellular receptor 2 | Ki | = | 2119.58 | nM | 5.67 | PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat... | - |
| N-formyl peptide receptor 3 | IC50 | = | 5150.57 | nM | 5.29 | GPCR PRESTO-Tango dose-response in antagonist mode with target: FPR3 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 346 |
| - | 10.6019/CHEMBL4689842 | U2OS | 345 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 345 |
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| 19361209 | 10.1021/jm900025h | No relevant target | 2 |
| 10794681 | 10.1021/jm990590f | Rattus norvegicus | 2 |
| 10669572 | 10.1021/jm9904351 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine