Compound Detail
CHEMBL4069220
DNDI-0690 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4069220 |
| Name | DNDI-0690 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | USIKCXQLXHGVDD-OAHLLOKOSA-N |
3
Targets
5
Activities
2
Assay Types
12
PK Parameters
15
Publications
1
Known Names
1
Indications
Molecular Properties
370.3
MW (Da)
3.22
ALogP
7
HBA
0
HBD
92.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Leishmaniasis, Visceral
Activity Summary
IC50 3 meas. best 7.52
EC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 7.03 | 7.03 | 93.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2650.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4080.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6820.0 | ng.hr.mL-1 | Mesocricetus auratus |
| CL | 6.3 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2133.17 | nM | Rattus norvegicus |
| Cmax | 3780.31 | nM | Mesocricetus auratus |
| F | 34.0 | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
| T1/2 | 3.1 | hr | Rattus norvegicus |
| T1/2 | 4.2 | hr | Mesocricetus auratus |
| Tmax | 3.3 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Mesocricetus auratus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 30.0 | nM | 7.52 | Antileishmanial activity against Leishmania donovani amastigotes infected in mou... | 28459575 |
| Leishmania donovani | EC50 | = | 60.0 | nM | 7.22 | Antileishmanial activity against intramacrophage form of Leishmania donovani | 33148491 |
| Leishmania infantum | IC50 | = | 80.0 | nM | 7.1 | Antileishmanial activity against Leishmania infantum infected in primary periton... | 28459575 |
| Leishmania infantum | EC50 | = | 93.0 | nM | 7.03 | Antileishmanial activity against intramacrophage form of Leishmania infantum | 33148491 |
| Trypanosoma cruzi | IC50 | = | 350.0 | nM | 6.46 | Antileishmanial activity against Trypanosoma cruzi infected in human MRC-5 cells... | 28459575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Rattus norvegicus | 10 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Leishmania donovani | 8 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | No relevant target | 4 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Syrian golden hamster | 4 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | ADMET | 3 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Mycobacterium tuberculosis | 2 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Liver | 2 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Plasma | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Leishmania infantum | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Trypanosoma cruzi | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | MRC5 | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Cytochrome P450 3A4 | 1 |
| 33148491 | 10.1016/j.ejmech.2020.112956 | Leishmania donovani | 1 |
| 33148491 | 10.1016/j.ejmech.2020.112956 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine