Compound Detail
CHEMBL21199
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Basic Information
| ChEMBL ID | CHEMBL21199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMSUMXAXIIHIJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.42
ALogP
5
HBA
1
HBD
45.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 1000.0 | nM | 6.0 | Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR3... | 11354381 |
| C-C chemokine receptor type 1 | IC50 | = | 4200.0 | nM | 5.38 | Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR1... | 11354381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354381 | 10.1016/s0960-894x(01)00176-7 | C-C chemokine receptor type 3 | 1 |
| 11354381 | 10.1016/s0960-894x(01)00176-7 | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine