Compound Detail
CHEMBL292625
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Basic Information
| ChEMBL ID | CHEMBL292625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWYRPZAYLGOTBK-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
5.64
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 9.3 | 8.5033 | 0.5 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| C-C chemokine receptor type 5 CHEMBL274 | Ki | 8.15 | 8.15 | 7.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 50000.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 0.5 | nM | 9.3 | Antagonistic activity against monkey C-C chemokine receptor type 5. | 15055994 |
| C-C chemokine receptor type 5 | IC50 | = | 2.2 | nM | 8.66 | Antagonistic activity against human C-C chemokine receptor type 5. | 15055994 |
| Human immunodeficiency virus 1 | IC50 | = | 5.5 | nM | 8.26 | Concentration required to inhibit the entry of HIV-1 reporter virus [ADA] into U... | 11585437 |
| C-C chemokine receptor type 5 | Ki | = | 7.0 | nM | 8.15 | Inhibition of RANTES binding to C-C chemokine receptor type 5 | 11585437 |
| C-C chemokine receptor type 5 | Ki | = | 7.0 | nM | 8.15 | Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5) | 14521412 |
| C-C chemokine receptor type 5 | IC50 | = | 28.3 | nM | 7.55 | Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C ... | 15055994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055994 | 10.1021/jm031046g | C-C chemokine receptor type 5 | 4 |
| 11585437 | 10.1021/jm015526o | C-C chemokine receptor type 5 | 1 |
| 11585437 | 10.1021/jm015526o | Human immunodeficiency virus 1 | 1 |
| 11585437 | 10.1021/jm015526o | Rattus norvegicus | 1 |
| 14521412 | 10.1021/jm030265z | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine