Compound Detail
CHEMBL1967185
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O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2c(ccc3ccccc32)o1
Basic Information
| ChEMBL ID | CHEMBL1967185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLKOSYUFXVTPTM-UVHMKAGCSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
5.96
ALogP
5
HBA
2
HBD
105.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.5
IC50 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.81 | 5.81 | 1553.8 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.5 | 5.5 | 3127.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.39 | 5.39 | 4047.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.03 | 5.03 | 9450.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.23 | 4.23 | 58780.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.18 | 4.18 | 66620.0 | 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 | = | 1553.83 | nM | 5.81 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3127.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4047.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Aminopeptidase N | IC50 | = | 9450.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Bifunctional protein GlmU | IC50 | = | 58780.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
| Streptococcus | EC50 | = | 66620.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine