Compound Detail
CHEMBL3208035
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Basic Information
| ChEMBL ID | CHEMBL3208035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWKRDOPIHNRCGC-CAOOACKPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.1
MW (Da)
3.15
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.53
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.53 | 5.53 | 2930.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.39 | 5.39 | 4027.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.21 | 5.21 | 6210.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.16 | 5.16 | 6854.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.67 | 4.67 | 21578.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.64 | 4.64 | 22922.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2930.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Type-1 angiotensin II receptor | IC50 | = | 4027.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Streptococcus sp. 'group A' | EC50 | = | 6210.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 6854.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| BJ | EC50 | = | 21578.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Streptococcus | EC50 | = | 22922.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine