Compound Detail
CHEMBL1500165
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(NC(S)=NNc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL1500165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZKZBEGBJNYIMF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
3.83
ALogP
8
HBA
5
HBD
172.3
PSA (Ų)
0.09
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.47 | 5.47 | 3373.8 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3373.81 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Aminopeptidase N | IC50 | = | 4170.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Leucine aminopeptidase | IC50 | = | 4330.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine