Compound Detail
CHEMBL1608686
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Basic Information
| ChEMBL ID | CHEMBL1608686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIKXLROQYQSOHV-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.75
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.57
EC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.3367 | 26700.0 | 3 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.56 | 4.55 | 27600.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.51 | 4.51 | 30720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26700.0 | nM | 4.57 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Protein skinhead-1 | IC50 | = | 27600.0 | nM | 4.56 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 29200.0 | nM | 4.54 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Unchecked | EC50 | = | 30720.0 | nM | 4.51 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 41653.0 | nM | 4.38 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 86330.0 | nM | 4.06 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine