Compound Detail
CHEMBL1423096
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Basic Information
| ChEMBL ID | CHEMBL1423096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLOLFTFTXWLIRO-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
243.7
MW (Da)
3.31
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.67
EC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.67 | 5.67 | 2164.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.82 | 4.6867 | 14990.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.13 | 4.115 | 74829.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2164.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
| Unchecked | EC50 | = | 14990.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 18130.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Unchecked | EC50 | = | 31280.0 | nM | 4.5 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 74829.0 | nM | 4.13 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 79640.0 | nM | 4.1 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine