Compound Detail
CHEMBL3190644
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Basic Information
| ChEMBL ID | CHEMBL3190644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQSNPQSSKHESRC-HTXNQAPBSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.71
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.33
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.33 | 5.33 | 4736.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 4987.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.3 | 5.3 | 4958.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.19 | 5.19 | 6459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 4736.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4987.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 4958.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 6459.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
Data from ChEMBL 36 via Core Engine