Compound Detail
CHEMBL1964909
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Basic Information
| ChEMBL ID | CHEMBL1964909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDJYOAVXGQCPNH-YAXRCOADSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
2.23
ALogP
7
HBA
2
HBD
127.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.01
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.01 | 6.01 | 977.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.46 | 19120.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.42 | 4.33 | 38100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 977.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 19120.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | EC50 | = | 38100.0 | nM | 4.42 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 58103.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
| Unchecked | IC50 | = | 63540.0 | nM | 4.2 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine