Compound Detail
CHEMBL1975458
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Basic Information
| ChEMBL ID | CHEMBL1975458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHFMLTDKCKVKPG-UVHMKAGCSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.39
ALogP
10
HBA
0
HBD
105.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.36
IC50 3 meas. best 5.96
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1090.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 2640.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | EC50 | = | 4401.0 | nM | 5.36 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 4667.0 | nM | 5.33 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 5680.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Unchecked | IC50 | = | 5930.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | EC50 | = | 11210.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
Data from ChEMBL 36 via Core Engine