Compound Detail
CHEMBL1461496
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Basic Information
| ChEMBL ID | CHEMBL1461496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVZXSZPDHISPOP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.53
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.97 | 5.97 | 1073.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.27 | 5.27 | 5318.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.11 | 5.11 | 7860.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.06 | 5.06 | 8770.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.63 | 4.63 | 23208.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1073.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 5318.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Neurotensin receptor type 1 | EC50 | = | 7860.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Streptococcus sp. 'group A' | EC50 | = | 8770.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 23208.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine