Compound Detail
CHEMBL4175047
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Basic Information
| ChEMBL ID | CHEMBL4175047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKFKFLOQMQGPCW-NSPIFIKESA-N |
| Parent Compound | CHEMBL4299781 |
| Active Moiety | CHEMBL4299781 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.22
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromal cell-derived factor 1 CHEMBL3286074 | Ki | 6.3 | 6.3 | 496.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromal cell-derived factor 1 | Ki | = | 496.0 | nM | 6.3 | Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhib... | 30106292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30106292 | 10.1021/acs.jmedchem.8b00657 | Mus musculus | 2 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | Stromal cell-derived factor 1 | 1 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine