Compound Detail
CHEMBL3589384
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N#Cc1ccc(N2C(=O)[C@]3(CCOC3)N(c3ccc(C(=O)O)c(F)c3)C2=S)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3589384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRFRYIRPPUMEGU-HXUWFJFHSA-N |
0
Targets
0
Activities
0
Assay Types
19
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.4
MW (Da)
3.71
ALogP
5
HBA
1
HBD
93.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 509.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 743.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 497.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 716.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 33.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 116.67 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2455.1 | nM | Rattus norvegicus |
| Cmax | 481.84 | nM | Rattus norvegicus |
| F | 29.0 | % | Rattus norvegicus |
| MRT | 3.5 | hr | Rattus norvegicus |
| MRT | 0.5 | hr | Rattus norvegicus |
| MRT | 4.2 | hr | Rattus norvegicus |
| MRT | 0.8 | hr | Rattus norvegicus |
| T1/2 | 3.3 | hr | Rattus norvegicus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| Tmax | 0.083 | hr | Rattus norvegicus |
| Tmax | 0.42 | hr | Rattus norvegicus |
| Vd | 8.0 | L.kg-1 | Rattus norvegicus |
| Vd | 38.4 | L.kg-1 | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26046313 | 10.1016/j.ejmech.2015.05.039 | Rattus norvegicus | 23 |
| 26046313 | 10.1016/j.ejmech.2015.05.039 | Androgen receptor | 1 |
| 26046313 | 10.1016/j.ejmech.2015.05.039 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine