Compound Detail
CHEMBL2011440
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Basic Information
| ChEMBL ID | CHEMBL2011440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUZKJGOSIGMDHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.7
MW (Da)
3.31
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | Kd | 4.97 | 4.865 | 10800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | 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 5 | Kd | = | 10800.0 | nM | 4.97 | Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR ass... | 21765967 |
| C-C chemokine receptor type 5 | Kd | = | 17500.0 | nM | 4.76 | Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis | 21765967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21765967 | 10.1021/ml2000017 | C-C chemokine receptor type 5 | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine