Compound Detail
CHEMBL2349416
PYRIDOSTATIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1
Basic Information
| ChEMBL ID | CHEMBL2349416 |
| Name | PYRIDOSTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGHSATQVJCTKEF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
3
PK Parameters
11
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
2.70
ALogP
11
HBA
5
HBD
202.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 5.27 | 5.27 | 5380.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.11 | 5.11 | 7820.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.52 | 10'5L/mol | Not specified |
| Ka | 1.36 | 10'5L/mol | Not specified |
| Ka | 6.97 | 10'5L/mol | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2650.0 | nM | 5.58 | Antimalarial activity against erythrocyte stage of Plasmodium falciparum 3D7 pre... | 29323491 |
| Leishmania major | IC50 | = | 5000.0 | nM | 5.3 | Antileishmanial activity against Leishmania major MHOM/IL/80/Friedlin promastigo... | 29323491 |
| MRC5 | IC50 | = | 5380.0 | nM | 5.27 | Cytotoxicity against human MRC5 cells assessed as cell growth inhibition after 7... | 29323491 |
| MRC5 | IC50 | = | 5400.0 | nM | 5.27 | Cytotoxicity against human MRC5 cells | 38971047 |
| Trypanosoma brucei brucei | IC50 | = | 7820.0 | nM | 5.11 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 29323491 |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | Cytotoxicity against mouse MNMCA1 cells assessed as cell survival preincubated f... | 36074772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26923693 | 10.1016/j.bmcl.2016.02.065 | Unchecked | 5 |
| 38971047 | 10.1016/j.ejmech.2024.116641 | Trypanosoma cruzi | 4 |
| 38971047 | 10.1016/j.ejmech.2024.116641 | ADMET | 4 |
| 29323491 | 10.1021/acs.jmedchem.7b01672 | Unchecked | 3 |
| 23458775 | 10.1021/jm3019063 | Unchecked | 1 |
| 29323491 | 10.1021/acs.jmedchem.7b01672 | Leishmania major | 1 |
| 29323491 | 10.1021/acs.jmedchem.7b01672 | Trypanosoma brucei brucei | 1 |
| 29323491 | 10.1021/acs.jmedchem.7b01672 | Plasmodium falciparum | 1 |
| 29323491 | 10.1021/acs.jmedchem.7b01672 | MRC5 | 1 |
| 36074772 | 10.1021/acs.jmedchem.2c00772 | Unchecked | 1 |
| 38971047 | 10.1016/j.ejmech.2024.116641 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine