Compound Detail
CHEMBL1975118
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Basic Information
| ChEMBL ID | CHEMBL1975118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMIDDARPXCZOLE-LFYBBSHMSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.2
MW (Da)
0.55
ALogP
7
HBA
3
HBD
120.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.87
IC50 3 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.87 | 5.98 | 136.0 | 2 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.18 | 6.18 | 667.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.5667 | 20330.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 136.0 | nM | 6.87 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 667.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 8050.0 | nM | 5.09 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 20330.0 | nM | 4.69 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 29693.0 | nM | 4.53 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 33410.0 | nM | 4.48 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine