Compound Detail
CHEMBL1400764
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Basic Information
| ChEMBL ID | CHEMBL1400764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOHWDQXDMKMDMN-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.66
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.75
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 | 3346.3 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.35 | 5.35 | 4510.3 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.75 | 4.65 | 17668.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.69 | 4.69 | 20598.0 | 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 | = | 3346.33 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Estrogen receptor beta | IC50 | = | 4510.28 | nM | 5.35 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Streptokinase A | EC50 | = | 17668.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus sp. 'group A' | EC50 | = | 20598.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 28183.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine