Compound Detail
CHEMBL1705092
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Basic Information
| ChEMBL ID | CHEMBL1705092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKCIVCICLRDWFO-KEBDBYFISA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.2
MW (Da)
3.64
ALogP
9
HBA
2
HBD
131.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.43
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.43 | 5.43 | 3688.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.26 | 5.26 | 5442.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.17 | 5.17 | 6790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 3688.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 5442.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Aminopeptidase N | IC50 | = | 6790.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine