Compound Detail
CHEMBL1383793
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COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4[C@@H](c5cc(OC)c(OC)c(OC)c5)c5[nH]c6ccccc6c5C[C@H]4C(=O)N23)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL1383793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOPKIUNZALUBEF-GBXZDHDHSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
728.8
MW (Da)
6.10
ALogP
8
HBA
2
HBD
127.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.46
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 3481.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 5018.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 7280.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 12100.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 14100.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| BJ | EC50 | = | 14345.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine