Compound Detail
CHEMBL6056920
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O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCNC(=O)c1cnc2c(S)cccc2c1
Basic Information
| ChEMBL ID | CHEMBL6056920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZFQVAYCSXOSIS-KJOQGJGQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.8
MW (Da)
2.15
ALogP
9
HBA
5
HBD
139.9
PSA (Ų)
0.10
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 5.8867 | 400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Biochemical Assay: In brief, this Rpn11 bioassay employs a fluorescent polarizat... | - |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Biochemical Assay: In brief, this Rpn11 bioassay employs a fluorescent polarizat... | - |
| Unchecked | IC50 | = | 13800.0 | nM | 4.86 | Biochemical Assay: In brief, this Rpn11 bioassay employs a fluorescent polarizat... | - |
Data from ChEMBL 36 via Core Engine