Compound Detail
CHEMBL1434555
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Basic Information
| ChEMBL ID | CHEMBL1434555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCYBVSOFHBBEEE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
54.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.25 | 5.25 | 5677.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.03 | 5.03 | 9260.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.06 | 4.06 | 86900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5677.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 9260.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| 72 kDa type IV collagenase | IC50 | = | 18400.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Prothrombin | IC50 | = | 86900.0 | nM | 4.06 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine