Compound Detail
CHEMBL416512
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Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL416512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDOTVMNTDPQVQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.7
MW (Da)
6.46
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 75.0 | nM | 7.12 | Antagonistic activity against human C-C chemokine receptor type 5. | 15055994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055994 | 10.1021/jm031046g | C-C chemokine receptor type 5 | 3 |
| 15055994 | 10.1021/jm031046g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine