Compound Detail
CHEMBL1378260
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Basic Information
| ChEMBL ID | CHEMBL1378260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSTCJCAVNMQPHS-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.61
ALogP
6
HBA
2
HBD
87.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.17 | 4.7583 | 6702.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6702.0 | nM | 5.17 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 10870.0 | nM | 4.96 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 11090.0 | nM | 4.96 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 22040.0 | nM | 4.66 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 38780.0 | nM | 4.41 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 41100.0 | nM | 4.39 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine