Compound Detail
CHEMBL1605668
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Basic Information
| ChEMBL ID | CHEMBL1605668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLKOILGLTXRFBD-UKTHLTGXSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.58
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.37
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.37 | 5.37 | 4282.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.26 | 5.155 | 5507.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 9890.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 4282.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 5507.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 8814.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 9800.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 9890.0 | nM | 5.0 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Envelope glycoprotein gp160 | IC50 | = | 21500.0 | nM | 4.67 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine