Compound Detail
CHEMBL1327684
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COc1ccc(-c2cc(=NCCCCCC(=O)O)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])O
Basic Information
| ChEMBL ID | CHEMBL1327684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRTQDZFIHBNRPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617675 |
| Active Moiety | CHEMBL1617675 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.96
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 7220.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine