Compound Detail
CHEMBL1462938
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Basic Information
| ChEMBL ID | CHEMBL1462938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIRHCEOSWRZXKS-HRNDJLQDSA-N |
| Parent Compound | CHEMBL1621514 |
| Active Moiety | CHEMBL1621514 |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.59
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
EC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.05 | 7.985 | 9.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.25 | 5.24 | 562.0 | 4 |
| BJ CHEMBL614358 | EC50 | 4.8 | 4.8 | 15852.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.18 | 4.18 | 66210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9.0 | nM | 8.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 12.0 | nM | 7.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | IC50 | = | 562.0 | nM | 6.25 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | IC50 | = | 8110.0 | nM | 5.09 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 12920.0 | nM | 4.89 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| BJ | EC50 | = | 15852.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | IC50 | = | 18540.0 | nM | 4.73 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Aminopeptidase N | IC50 | = | 66210.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine