Compound Detail
CHEMBL1424264
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Basic Information
| ChEMBL ID | CHEMBL1424264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGUYKNWCDOOQFE-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
5.05
ALogP
4
HBA
3
HBD
74.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.12
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.02 | 6.02 | 959.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.91 | 4.91 | 12220.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.32 | 4.32 | 47900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Streptokinase A | EC50 | = | 760.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 959.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Streptococcus | EC50 | = | 12220.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| C-C chemokine receptor type 6 | IC50 | = | 47900.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine