Compound Detail
CHEMBL3145192
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Basic Information
| ChEMBL ID | CHEMBL3145192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTVFNUICLHWCHG-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.16
ALogP
6
HBA
1
HBD
98.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.47
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.47 | 5.47 | 3392.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.33 | 5.33 | 4669.8 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.24 | 5.24 | 5754.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.23 | 5.23 | 5829.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 3392.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4669.79 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Streptococcus | EC50 | = | 5754.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptokinase A | EC50 | = | 5829.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 10598.0 | nM | 4.97 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine