Compound Detail
CHEMBL5199989
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C[C@H](CC(=O)Nc1cc(C(=O)NCC(F)F)nn1C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5199989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCXEHSEVZQEED-SZNDQCEHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
1.20
ALogP
7
HBA
3
HBD
128.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A CHEMBL4105833 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal peptide peptidase-like 2A | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human SPPL2A expressed in human U2OS cells assessed as nuclear mas... | 35707150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35707150 | 10.1021/acsmedchemlett.2c00190 | Signal peptide peptidase-like 2A | 1 |
Data from ChEMBL 36 via Core Engine