Compound Detail
CHEMBL4217178
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Basic Information
| ChEMBL ID | CHEMBL4217178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMOBNDMRQYSACF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.65
ALogP
7
HBA
2
HBD
89.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Meprin A subunit alpha CHEMBL4105775 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Meprin A subunit beta CHEMBL4105879 | IC50 | 5.18 | 5.18 | 6539.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Meprin A subunit alpha | IC50 | = | 830.0 | nM | 6.08 | Inhibition of meprin alpha (unknown origin) | 29694039 |
| Meprin A subunit beta | IC50 | = | 6539.0 | nM | 5.18 | Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK... | 29694039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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