Compound Detail
CHEMBL5542345
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Basic Information
| ChEMBL ID | CHEMBL5542345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAHNSLHAROATGX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069244 |
| Active Moiety | CHEMBL6069244 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.2
MW (Da)
3.29
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.46
Kd 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YTH domain-containing protein 1 CHEMBL5169187 | Kd | 7.31 | 7.31 | 49.0 | 1 |
| YTH domain-containing protein 1 CHEMBL5169187 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| YTH domain-containing family protein 2 CHEMBL4295992 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| YTH domain-containing family protein 3 CHEMBL5169172 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
| YTH domain-containing family protein 1 CHEMBL5169192 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YTH domain-containing protein 1 | Kd | = | 49.0 | nM | 7.31 | Binding affinity to YTHDC1 (unknown origin) assessed as equilibrium dissociation... | 38787793 |
| YTH domain-containing protein 1 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of GST-tagged YTHDC1 (unknown origin) by HTRF assay | 38787793 |
| YTH domain-containing family protein 2 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of GST-tagged YTHDF2 (unknown origin) by HTRF assay | 38787793 |
| YTH domain-containing family protein 3 | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of GST-tagged YTHDF3 (unknown origin) by HTRF assay | 38787793 |
| YTH domain-containing family protein 1 | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of GST-tagged YTHDF1 (unknown origin) by HTRF assay | 38787793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38787793 | 10.1021/acs.jmedchem.4c00599 | YTH domain-containing protein 1 | 6 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | Unchecked | 6 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | THP-1 | 2 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | YTH domain-containing family protein 1 | 1 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | YTH domain-containing family protein 2 | 1 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | YTH domain-containing family protein 3 | 1 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine