Compound Detail
CHEMBL4458878
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C[C@]1(c2ccc(F)cc2F)C[C@H](COc2ccc(N3CCN(c4ccc(NC(=O)c5cccnc5)cc4)CC3)cc2)CO1
Basic Information
| ChEMBL ID | CHEMBL4458878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHNERZEYYANPV-PBUKZNKTSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
6.27
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.15 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 3.0 | hr | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529635 | 10.1016/j.ejmech.2018.11.056 | ADMET | 2 |
| 30529635 | 10.1016/j.ejmech.2018.11.056 | Unchecked | 1 |
| 30529635 | 10.1016/j.ejmech.2018.11.056 | Cytochrome P450 3A4 | 1 |
| 30529635 | 10.1016/j.ejmech.2018.11.056 | No relevant target | 1 |
| 30529635 | 10.1016/j.ejmech.2018.11.056 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine