Compound Detail
CHEMBL1482998
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Basic Information
| ChEMBL ID | CHEMBL1482998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMXLXKHLGDUTHT-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.70
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
EC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.79 | 5.79 | 1628.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.21 | 5.21 | 6170.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.18 | 5.18 | 6660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1628.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Aminopeptidase N | IC50 | = | 3370.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3690.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| X-box-binding protein 1 | IC50 | = | 6170.0 | nM | 5.21 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 6660.0 | nM | 5.18 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
Data from ChEMBL 36 via Core Engine