Compound Detail
CHEMBL4209993
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Basic Information
| ChEMBL ID | CHEMBL4209993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXUDREYOXKXYRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
13
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
2.16
ALogP
5
HBA
4
HBD
93.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Meprin A subunit beta CHEMBL4105879 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Meprin A subunit alpha CHEMBL4105775 | IC50 | 6.2 | 6.2 | 626.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.83 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2885.46 | nM | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| Tmax | 0.13 | hr | Rattus norvegicus |
| Vd | 0.045 | l | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Meprin A subunit beta | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... | 29694039 |
| Meprin A subunit alpha | IC50 | = | 626.0 | nM | 6.2 | Inhibition of recombinant human meprin alpha expressed in insect cells using Abz... | 29694039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Rattus norvegicus | 7 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | HepG2 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | SH-SY5Y | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Cytochrome P450 2C9 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Cytochrome P450 3A4 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Collagenase 3 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Matrix metalloproteinase-9 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | 72 kDa type IV collagenase | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Bone morphogenetic protein 1 | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Meprin A subunit alpha | 1 |
| 29694039 | 10.1021/acs.jmedchem.8b00330 | Meprin A subunit beta | 1 |
Data from ChEMBL 36 via Core Engine