Compound Detail
CHEMBL201314
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C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(C(=O)O)nc1
Basic Information
| ChEMBL ID | CHEMBL201314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYDQXQCRXOXJBJ-QWHCGFSZSA-N |
0
Targets
0
Activities
0
Assay Types
12
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
3.80
ALogP
5
HBA
2
HBD
109.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| AUC | - | - | Rattus norvegicus |
| AUC | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| Cmax | - | - | Rattus norvegicus |
| Cmax | - | - | Rattus norvegicus |
| Cmax | - | - | Rattus norvegicus |
| T1/2 | - | - | Rattus norvegicus |
| T1/2 | - | - | Rattus norvegicus |
| T1/2 | - | - | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420057 | 10.1021/jm050293c | Rattus norvegicus | 16 |
| 16420057 | 10.1021/jm050293c | Androgen receptor | 3 |
| 16420057 | 10.1021/jm050293c | Progesterone receptor | 1 |
| 16420057 | 10.1021/jm050293c | Glucocorticoid receptor | 1 |
| 16420057 | 10.1021/jm050293c | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine