Compound Detail
CHEMBL441550
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CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3CCS(=O)(=O)C3)c(Cc3ccccc3C(F)(F)F)sc21
Basic Information
| ChEMBL ID | CHEMBL441550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWUQARMOMBUJSG-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
2.78
ALogP
8
HBA
0
HBD
98.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | - | - | Homo sapiens |
| CL | 6.0 | mL.min-1.g-1 | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228867 | 10.1021/jm060995h | ADMET | 2 |
| 17228867 | 10.1021/jm060995h | Monocarboxylate transporter 1 | 1 |
| 17228867 | 10.1021/jm060995h | No relevant target | 1 |
| 17228867 | 10.1021/jm060995h | Cytochrome P450 2C9 | 1 |
| 17228867 | 10.1021/jm060995h | Cytochrome P450 3A4 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine