Compound Detail
CHEMBL4649221
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Cc1ccc2c(n1)N(CC(=O)Nc1ccc3c(c1)OCO3)CC(c1nc(-c3cccc(F)c3)no1)C2=O
Basic Information
| ChEMBL ID | CHEMBL4649221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKZMZMBQKWDWEX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
3.73
ALogP
9
HBA
1
HBD
119.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 28500.0 | nM | 4.54 | Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect c... | 32435413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435413 | 10.1021/acsmedchemlett.0c00011 | DNA (cytosine-5)-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine