Compound Detail
CHEMBL1381242
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Basic Information
| ChEMBL ID | CHEMBL1381242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDDKMDRGDDKWJX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.51
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.59
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.345 | 2560.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.46 | 5.46 | 3438.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.24 | 5.24 | 5737.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 101.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 2560.0 | nM | 5.59 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3438.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Calpain-2 catalytic subunit | IC50 | = | 5737.52 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | IC50 | = | 7890.0 | nM | 5.1 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
Data from ChEMBL 36 via Core Engine