Compound Detail
CHEMBL3695454
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CC[C@H](N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)NC1=NNNN1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3695454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHFEUDQDQMOGY-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
1.37
ALogP
7
HBA
6
HBD
126.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.2 | nM | 9.7 | In Vitro Inhibition Assay: The in vitro inhibition of recombinant human neutral ... | - |
Data from ChEMBL 36 via Core Engine