Compound Detail
CHEMBL1465706
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Basic Information
| ChEMBL ID | CHEMBL1465706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDQGIAKHENYTHX-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.28
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.38
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 6.38 | 6.38 | 418.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.1767 | 576.0 | 3 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.19 | 6.19 | 639.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.17 | 5.17 | 6770.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.58 | 4.58 | 26510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 418.0 | nM | 6.38 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Unchecked | IC50 | = | 576.0 | nM | 6.24 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Tumor necrosis factor | IC50 | = | 639.0 | nM | 6.19 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| Unchecked | IC50 | = | 707.0 | nM | 6.15 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 730.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| HEK293 | IC50 | = | 6770.0 | nM | 5.17 | PUBCHEM_BIOASSAY: SAR analysis of compounds that are cytotoxic to HEK293 revised... | - |
| Unchecked | EC50 | = | 26510.0 | nM | 4.58 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine