Compound Detail
CHEMBL1391894
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Basic Information
| ChEMBL ID | CHEMBL1391894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEHKQNYBBLCFIJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.66
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.3267 | 31946.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31946.0 | nM | 4.5 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 48030.0 | nM | 4.32 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 69560.0 | nM | 4.16 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795752 | 10.1021/acsmedchemlett.7b00427 | Tryptophan 2,3-dioxygenase | 2 |
| 29795752 | 10.1021/acsmedchemlett.7b00427 | SW48 | 1 |
| 29795752 | 10.1021/acsmedchemlett.7b00427 | A 172 | 1 |
Data from ChEMBL 36 via Core Engine