Compound Detail
CHEMBL1603238
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Basic Information
| ChEMBL ID | CHEMBL1603238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUFODYCVMGVEJG-YPKPFQOOSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.26
ALogP
6
HBA
3
HBD
98.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 5.39 | 5.39 | 4080.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.5 | 4.5 | 31763.0 | 1 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 4.4 | 4.4 | 39469.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.39 | 4.39 | 41020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 4080.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Procathepsin L | IC50 | = | 31763.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QF... | - |
| Aspartyl aminopeptidase | IC50 | = | 39469.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QF... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 41020.0 | nM | 4.39 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22901392 | 10.1016/j.bmcl.2012.07.086 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine