Compound Detail
CHEMBL1946750
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Cc1cc2nc3c(=O)n(CC(=O)NCCCN)c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Basic Information
| ChEMBL ID | CHEMBL1946750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMMWBRHPYUHWIV-FCEWJHQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
-2.79
ALogP
12
HBA
6
HBD
205.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Riboflavin-binding protein CHEMBL1944489 | Kd | 4.45 | 4.45 | 35500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Riboflavin-binding protein | Kd | = | 35500.0 | nM | 4.45 | Binding affinity to chicken riboflavin binding protein by surface plasmon resona... | 21686082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21686082 | 10.1021/ml100296z | Riboflavin-binding protein | 3 |
Data from ChEMBL 36 via Core Engine