Compound Detail
CHEMBL1982774
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Basic Information
| ChEMBL ID | CHEMBL1982774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZTYSIYZVXPZPS-RIYZIHGNSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
2.14
ALogP
6
HBA
2
HBD
100.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.19
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6413.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 8918.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 9768.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 10905.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| BJ | EC50 | = | 21607.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine