Compound Detail
CHEMBL1501577
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Basic Information
| ChEMBL ID | CHEMBL1501577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUBQOILMKZCPGN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
3.04
ALogP
5
HBA
1
HBD
89.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.54 | 4.54 | 28630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3690.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| 72 kDa type IV collagenase | IC50 | = | 22500.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Bifunctional protein GlmU | IC50 | = | 28630.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine