Compound Detail
CHEMBL20921
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Basic Information
| ChEMBL ID | CHEMBL20921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOHFBKIKGAINLL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
5.06
ALogP
6
HBA
2
HBD
71.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 8.64 | 8.64 | 2.3 | 2 |
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 59.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 2.3 | nM | 8.64 | Binding affinity was determined towards C-C chemokine receptor type 3 using [125... | 14505678 |
| C-C chemokine receptor type 3 | IC50 | = | 2.3 | nM | 8.64 | Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR3... | 11354381 |
| C-C chemokine receptor type 1 | IC50 | = | 1900.0 | nM | 5.72 | Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR1... | 11354381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 14505678 | 10.1016/s0960-894x(03)00748-0 | C-C chemokine receptor type 3 | 1 |
| 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