Compound Detail
CHEMBL1813441
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CCCCN1C(=O)[C@@H]([C@H](O)C2CCOCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl
Basic Information
| ChEMBL ID | CHEMBL1813441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRQGSONSUZMWJF-LTRMXRMOSA-N |
| Parent Compound | CHEMBL1851890 |
| Active Moiety | CHEMBL1851890 |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
3.43
ALogP
7
HBA
3
HBD
128.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21658961 | 10.1016/j.bmc.2011.05.022 | C-C chemokine receptor type 5 | 2 |
| 21658961 | 10.1016/j.bmc.2011.05.022 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine