Compound Detail
CHEMBL1618631
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Basic Information
| ChEMBL ID | CHEMBL1618631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIIVMSZGSFSEHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
4.53
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | Kd | = | 10000.0 | nM | 5.0 | 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 4 | 1 |
| 21765967 | 10.1021/ml2000017 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine