Compound Detail
CHEMBL1408320
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Basic Information
| ChEMBL ID | CHEMBL1408320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOFSRFCBRFFHJD-KJWHQMAJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.21
ALogP
5
HBA
0
HBD
84.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.08
EC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.08 | 5.08 | 8310.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 5.07 | 8460.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.73 | 4.73 | 18801.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 8310.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | EC50 | = | 8460.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| HEK293 | IC50 | = | 18801.0 | nM | 4.73 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
Data from ChEMBL 36 via Core Engine