Compound Detail
CHEMBL503168
DATISCETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL503168 |
| Name | DATISCETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCNLFPKXBGWWDS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.26 | 4.26 | 55400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.26 | 4.185 | 55400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 27000.0 | nM | 4.57 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstre... | 27411733 |
| Amyloid-beta precursor protein | IC50 | = | 55400.0 | nM | 4.26 | Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by T... | 26719209 |
| Unchecked | IC50 | = | 55400.0 | nM | 4.26 | Inhibition of amyloid beta (1 to 42) aggregation in Escherichia coli competent c... | 28128562 |
| Unchecked | IC50 | = | 76900.0 | nM | 4.11 | Inhibition of Trypanosoma brucei PTR1 using H2B as substrate incubated for 10 mi... | 27411733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26719209 | 10.1016/j.bmc.2015.12.021 | Amyloid-beta precursor protein | 8 |
| 26719209 | 10.1016/j.bmc.2015.12.021 | No relevant target | 3 |
| 8882428 | 10.1021/np960057s | Monocyte | 1 |
| 8350096 | 10.1021/np50096a027 | Unchecked | 1 |
| 20692831 | 10.1016/j.bmcl.2010.07.068 | NON-PROTEIN TARGET | 1 |
| 22300659 | 10.1016/j.bmcl.2011.12.145 | Protein E6 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| - | 10.1007/s00044-011-9570-z | Avian myoblastosis virus polyprotein II | 1 |
| 28049590 | 10.1016/j.bmcl.2016.12.051 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
| 28128562 | 10.1021/acs.jnatprod.6b00643 | Unchecked | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Unchecked | 1 |
| 27411733 | 10.1021/acs.jmedchem.6b00698 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine