Compound Detail
CHEMBL4471400
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CC(C)(C)CN1C[C@@]2(CCC[C@H](C(C)(C)n3cnc4ccc(C#N)cc43)C2)OC1=O
Basic Information
| ChEMBL ID | CHEMBL4471400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGSQLTIKNXWNRE-UUOWRZLLSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.07
ALogP
5
HBA
0
HBD
71.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 70.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 8.0 | % | Rattus norvegicus |
| MRT | 0.3 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31413810 | 10.1021/acsmedchemlett.9b00274 | ADMET | 4 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine