Compound Detail
CHEMBL4292445
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CCC/N=C1\S/C(=C\c2ccc(C(=O)OCc3oc(=O)oc3C)cc2)C(=O)N1c1ccccc1O
Basic Information
| ChEMBL ID | CHEMBL4292445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVFDYOMOEUTKET-SVKHOINDSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
4.49
ALogP
9
HBA
1
HBD
122.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.15 | hr | Homo sapiens |
| T1/2 | 0.3833 | hr | Homo sapiens |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30143424 | 10.1016/j.bmcl.2018.07.044 | ADMET | 3 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | No relevant target | 2 |
| 30143424 | 10.1016/j.bmcl.2018.07.044 | Sphingosine 1-phosphate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine