Compound Detail
CHEMBL146769
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Basic Information
| ChEMBL ID | CHEMBL146769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUGDHVSPBLVISO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
2.19
ALogP
6
HBA
3
HBD
88.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | IC50 | 8.3 | 8.15 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.95 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 5.0 | nM | 8.3 | O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of ina... | 9857094 |
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 10.0 | nM | 8.0 | O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concen... | 9857094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857094 | 10.1021/jm9708644 | Methylated-DNA--protein-cysteine methyltransferase | 2 |
| 9857094 | 10.1021/jm9708644 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine