Compound Detail
CHEMBL1366012
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Basic Information
| ChEMBL ID | CHEMBL1366012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCJZANHDHLKJNX-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.74
ALogP
4
HBA
3
HBD
74.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
EC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.66 | 6.66 | 221.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.93 | 5.93 | 1161.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 5.28 | 5.01 | 5220.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.24 | 5.24 | 5741.0 | 1 |
| Apelin receptor CHEMBL1628481 | IC50 | 5.12 | 5.12 | 7680.0 | 1 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 4.95 | 4.95 | 11136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 221.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1161.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| C-C chemokine receptor type 6 | IC50 | = | 5220.0 | nM | 5.28 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the CCR6 recepto... | - |
| Streptococcus | EC50 | = | 5741.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Apelin receptor | IC50 | = | 7680.0 | nM | 5.12 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 11136.0 | nM | 4.95 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-C chemokine receptor type 6 | IC50 | = | 18400.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine