Compound Detail
CHEMBL3703479
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C[C@H](N[C@@H](Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)C(=O)Nc1nnn[nH]1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3703479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSMHQZYTVCRZRZ-QFYYESIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.3
MW (Da)
2.79
ALogP
6
HBA
4
HBD
132.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane metallo-endopeptidase-like 1 CHEMBL3638356 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
Data from ChEMBL 36 via Core Engine