Compound Detail
CHEMBL4162752
DDO-3055 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4162752 |
| Name | DDO-3055 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | AIKDJELJHUPYNG-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
30
PK Parameters
14
Publications
1
Known Names
1
Indications
Molecular Properties
360.8
MW (Da)
1.69
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Renal Insufficiency, Chronic
Activity Summary
IC50 4 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.81 | 6.62 | 15.6 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 611.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 636.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1374.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1357.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 4864.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4709.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4795.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5418.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 1.54 | mL.min-1.kg-1 | Homo sapiens |
| CL | 35.62 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 82.16 | mL.min-1.kg-1 | Mus musculus |
| CL | 6.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.01 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 13.0 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 26.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 27.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.013 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 0.01 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.02 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.01 | mL.min-1.kg-1 | Mus musculus |
| CL | 13.2 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 25.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 3.44 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.3 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2037.42 | nM | Canis lupus familiaris |
| Cmax | 2846.85 | nM | Rattus norvegicus |
| F | 54.0 | % | Canis lupus familiaris |
| F | 55.7 | % | Rattus norvegicus |
| MRT | 2.27 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 15.62 | nM | 7.81 | Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by f... | 37367818 |
| Egl nine homolog 1 | IC50 | = | 64.2 | nM | 7.19 | Inhibition of FITC-HIF1alpha (556 to 574 residues) binding to PHD2 (181 to 426 r... | 32787144 |
| Egl nine homolog 1 | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of HIF-PHD2 (unknown origin) by fluorescence polarization assay | 29712435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787144 | 10.1021/acs.jmedchem.0c01161 | ADMET | 77 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Unchecked | 11 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Egl nine homolog 1 | 8 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Mus musculus | 3 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Cytochrome P450 3A4 | 2 |
| 29712435 | 10.1021/acs.jmedchem.7b01686 | Egl nine homolog 1 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Cytochrome P450 2D6 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Cytochrome P450 2C9 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Cytochrome P450 1A2 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | MCF7 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | Hep 3B2 | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | HUVEC | 1 |
| 32787144 | 10.1021/acs.jmedchem.0c01161 | L02 | 1 |
| 37367818 | 10.1021/acs.jmedchem.3c00231 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine