Compound Detail
CHEMBL3190482
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Basic Information
| ChEMBL ID | CHEMBL3190482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNTXZPIFHIHNPC-SSDVNMTOSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.3
MW (Da)
2.56
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.3
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 4995.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.27 | 5.27 | 5350.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.01 | 5.01 | 9656.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.55 | 4.485 | 27950.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 83262.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 4995.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5350.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 9656.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 27950.0 | nM | 4.55 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 37820.0 | nM | 4.42 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 83262.0 | nM | 4.08 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Data from ChEMBL 36 via Core Engine