Compound Detail
CHEMBL3195656
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CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3O)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL3195656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVQVKEFZHUOPFV-ZMOGYAJESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.47
ALogP
9
HBA
2
HBD
122.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.84 | 4.84 | 14440.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.16 | 4.16 | 69998.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine aminopeptidase | IC50 | = | 14440.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| No relevant target | IC50 | = | 69998.0 | nM | 4.16 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
Data from ChEMBL 36 via Core Engine