Compound Detail
CHEMBL1603637
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Basic Information
| ChEMBL ID | CHEMBL1603637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEYXCCSWBFPEMV-XSFVSMFZSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
6.54
ALogP
6
HBA
0
HBD
54.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.29
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.29 | 6.29 | 518.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.19 | 6.19 | 647.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.77 | 5.77 | 1688.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.44 | 5.44 | 3655.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 518.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 647.0 | nM | 6.19 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1688.0 | nM | 5.77 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 2860.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Streptococcus | EC50 | = | 3655.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine