Compound Detail
CHEMBL538336
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CCC(C)O)C1=O.Cl
Basic Information
| ChEMBL ID | CHEMBL538336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGVVHPOHFQGXHV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189266 |
| Active Moiety | CHEMBL1189266 |
0
Targets
0
Activities
0
Assay Types
8
PK Parameters
4
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
3.96
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10532.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3091.0 | ng | Rattus norvegicus |
| CL | 16.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 14585.23 | nM | Rattus norvegicus |
| F | 34.1 | % | Rattus norvegicus |
| T1/2 | 0.2 | hr | Rattus norvegicus |
| T1/2 | 0.8067 | hr | Rattus norvegicus |
| T1/2 | 0.185 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20542438 | 10.1016/j.bmc.2010.05.057 | Rattus norvegicus | 8 |
| 17118654 | 10.1016/j.bmcl.2006.10.084 | C-C chemokine receptor type 5 | 1 |
| 20542438 | 10.1016/j.bmc.2010.05.057 | C-C chemokine receptor type 5 | 1 |
| 20542438 | 10.1016/j.bmc.2010.05.057 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine