Compound Detail
CHEMBL400359
DIHYDROCHELERYTHRINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL400359 |
| Name | DIHYDROCHELERYTHRINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALZAZMCIBRHMFF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.20
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.45 | 4.45 | 35400.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.25 | 4.25 | 56230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 800.0 | nM | 6.1 | Antitrypanosomal activity against Trypanosoma brucei brucei MITat 1.2 variant 22... | 17880175 |
| Leishmania donovani | IC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 17880175 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Binding affinity to c-myc G-quadruplex DNA (unknown origin) incubated for 30 min... | 27234888 |
| Vero | IC50 | = | 35400.0 | nM | 4.45 | Cytotoxicity against african green monkey Vero cells | 17880175 |
| Dipeptidyl peptidase 4 | IC50 | = | 56230.0 | nM | 4.25 | Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as incre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27234888 | 10.1016/j.bmc.2016.04.059 | Unchecked | 9 |
| 17880175 | 10.1021/np0702281 | Leishmania donovani | 5 |
| 24549242 | 10.1016/j.ejmech.2014.01.046 | Hepatitis B virus | 2 |
| 27234888 | 10.1016/j.bmc.2016.04.059 | NON-PROTEIN TARGET | 2 |
| 38330258 | 10.1021/acs.jmedchem.3c01943 | Cytochrome P450 3A4 | 1 |
| 17880175 | 10.1021/np0702281 | Trypanosoma brucei brucei | 1 |
| 28641156 | 10.1016/j.ejmech.2017.06.021 | HCT-15 | 1 |
| 28641156 | 10.1016/j.ejmech.2017.06.021 | PC-3 | 1 |
| 28641156 | 10.1016/j.ejmech.2017.06.021 | Unchecked | 1 |
| 27234888 | 10.1016/j.bmc.2016.04.059 | A-431 | 1 |
| 27234888 | 10.1016/j.bmc.2016.04.059 | MDA-MB-231 | 1 |
| 27234888 | 10.1016/j.bmc.2016.04.059 | A549 | 1 |
| 27234888 | 10.1016/j.bmc.2016.04.059 | HeLa | 1 |
| 26026362 | 10.1016/j.bmcl.2015.05.031 | HL-60 | 1 |
| 26026362 | 10.1016/j.bmcl.2015.05.031 | HCT-116 | 1 |
| - | 10.1039/C0MD00245C | Dipeptidyl peptidase 4 | 1 |
| - | 10.1021/np50074a026 | Escherichia coli | 1 |
| - | 10.1021/np50074a026 | Micrococcus luteus | 1 |
| - | 10.1021/np50074a026 | Bacillus subtilis | 1 |
| - | 10.1021/np50074a026 | Penicillium oxalicum | 1 |
Data from ChEMBL 36 via Core Engine