Compound Detail
CHEMBL4461601
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C#CCCC1(CCN(CC)c2ccc(Oc3ccc(-c4nc5cccc(F)c5c(OC)c4C)cc3F)cc2)N=N1
Basic Information
| ChEMBL ID | CHEMBL4461601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHGMJBWUSORONY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
540.6
MW (Da)
8.08
ALogP
6
HBA
0
HBD
59.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of C-terminal 6-His tagged recombinant human DHODH N-terminal domain ... | 30938999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30938999 | 10.1021/acs.jmedchem.9b00091 | Hepatitis C virus | 2 |
| 30938999 | 10.1021/acs.jmedchem.9b00091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine