Compound Detail
CHEMBL1313324
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Basic Information
| ChEMBL ID | CHEMBL1313324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDIHFJPZWBYWJD-ZROIWOOFSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.23
ALogP
7
HBA
1
HBD
83.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.53
EC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.53 | 5.53 | 2930.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.33 | 5.33 | 4660.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 5.29 | 5.29 | 5110.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.66 | 4.66 | 21842.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.49 | 4.49 | 32301.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 2930.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4660.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Prothrombin | IC50 | = | 5110.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Zinc finger protein mex-5 | EC50 | = | 21842.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 32301.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine