Compound Detail
CHEMBL1993190
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Basic Information
| ChEMBL ID | CHEMBL1993190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJDJKKUWANCWBH-OVCLIPMQSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.07
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.68
IC50 2 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.0675 | 2086.0 | 4 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.34 | 5.34 | 4559.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.05 | 4.05 | 88105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2086.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 4300.0 | nM | 5.37 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Luciferin 4-monooxygenase | EC50 | = | 4559.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 7287.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 82189.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| Unchecked | IC50 | = | 88105.0 | nM | 4.05 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Data from ChEMBL 36 via Core Engine