Compound Detail
CHEMBL2092739
DIHYDROQUINIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2092739 |
| Name | DIHYDROQUINIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJOQGZACKSYWCH-LHFMAAMQSA-N |
2
Targets
3
Activities
2
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.40
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.59
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.59 | 7.575 | 25.7 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | Ki | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.2 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.22 | - | Homo sapiens |
| MRT | 11.0 | hr | Homo sapiens |
| T1/2 | 5.7 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 25.71 | nM | 7.59 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 27.33 | nM | 7.56 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Cytochrome P450 2D6 | Ki | = | 66.0 | nM | 7.18 | Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = ... | 8487254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 8487254 | 10.1021/jm00061a004 | Cytochrome P450 2D6 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine