Compound Detail
CHEMBL300172
CHRYSAMINE G Enter ChEMBL ID:
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O=C(O)c1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL300172 |
| Name | CHRYSAMINE G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFFSCOOTVXBLCK-QAVVBOBSSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
6.99
ALogP
8
HBA
4
HBD
164.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 9.85 | 9.725 | 0.1 | 4 |
| Unchecked CHEMBL612545 | Ki | 9.37 | 7.9 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 0.14 | nM | 9.85 | Inhibitory activity against binding of [125I]IMSB to amyloid beta in brain | 11428920 |
| Amyloid-beta precursor protein | Ki | = | 0.14 | nM | 9.85 | Inhibition constant for aggregates of amyloid beta compared to [125I]IMSB | 11384236 |
| Amyloid-beta precursor protein | Ki | = | 0.16 | nM | 9.8 | Displacement of [125I]IMSB from beta amyloid protein 40 | 17004725 |
| Amyloid-beta precursor protein | Ki | = | 0.4 | nM | 9.4 | Inhibition constant of compound on ligand binding to aggregates of Amyloid beta ... | 11384236 |
| Unchecked | Ki | = | 0.43 | nM | 9.37 | Binding affinity to amyloid beta (1 to 42) after 3 hrs using [125I]IMSB by gamma... | 21885280 |
| Unchecked | Ki | = | 370.0 | nM | 6.43 | Binding affinity to amyloid beta (unknown origin) | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384236 | 10.1021/jm010045q | Amyloid-beta precursor protein | 4 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 11428920 | 10.1021/jm010161t | Amyloid-beta precursor protein | 1 |
| 17004725 | 10.1021/jm0607193 | Amyloid-beta precursor protein | 1 |
| 19845387 | 10.1021/jm901039z | Amyloid-beta precursor protein | 1 |
| 21885280 | 10.1016/j.bmcl.2011.08.003 | Unchecked | 1 |
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine