Compound Detail
CHEMBL1309484
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Basic Information
| ChEMBL ID | CHEMBL1309484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWEWDGNEURPFPF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1616716 |
| Active Moiety | CHEMBL1616716 |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.6
MW (Da)
5.85
ALogP
2
HBA
0
HBD
25.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.37
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 4.6025 | 4250.0 | 4 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.68 | 4.68 | 21094.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 800.0 | nM | 6.1 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 4250.0 | nM | 5.37 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Envelope glycoprotein gp160 | IC50 | = | 14400.0 | nM | 4.84 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Calpain-2 catalytic subunit | IC50 | = | 21094.58 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | IC50 | = | 31830.0 | nM | 4.5 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 33930.0 | nM | 4.47 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 86110.0 | nM | 4.07 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Data from ChEMBL 36 via Core Engine