Compound Detail
CHEMBL5177286
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Basic Information
| ChEMBL ID | CHEMBL5177286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUUWWTXOJILAMU-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
0.70
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.41
Kd 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YTH domain-containing protein 1 CHEMBL5169187 | Kd | 5.78 | 5.775 | 1680.0 | 2 |
| YTH domain-containing protein 1 CHEMBL5169187 | IC50 | 4.41 | 4.41 | 39000.0 | 3 |
| YTH domain-containing family protein 2 CHEMBL4295992 | IC50 | 3.39 | 3.39 | 410000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YTH domain-containing protein 1 | Kd | = | 1680.0 | nM | 5.78 | Binding affinity to YTHDC1 (unknown origin) assessed as dissociation constant | 38787793 |
| YTH domain-containing protein 1 | Kd | = | 1700.0 | nM | 5.77 | Binding affinity to YTHDC1 (unknown origin) assessed as dissociation constant | 38805939 |
| YTH domain-containing protein 1 | IC50 | = | 39000.0 | nM | 4.41 | Binding affinity to GST-tagged YTHDC1 m6A-reader domain (unknown origin) using R... | 36110386 |
| YTH domain-containing protein 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of YTHDC1 (unknown origin) | 38787793 |
| YTH domain-containing protein 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of YTHDC1 (unknown origin) | 38805939 |
| YTH domain-containing family protein 2 | IC50 | = | 410000.0 | nM | 3.39 | Binding affinity to GST-tagged YTHDF2 m6A-reader domain (unknown origin) using R... | 36110386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36110386 | 10.1021/acsmedchemlett.2c00303 | YTH domain-containing family protein 2 | 2 |
| 36110386 | 10.1021/acsmedchemlett.2c00303 | YTH domain-containing protein 1 | 2 |
| 38787793 | 10.1021/acs.jmedchem.4c00599 | YTH domain-containing protein 1 | 2 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | YTH domain-containing protein 1 | 2 |
| 36110386 | 10.1021/acsmedchemlett.2c00303 | YTH domain-containing family protein 1 | 1 |
| 36110386 | 10.1021/acsmedchemlett.2c00303 | YTH domain-containing family protein 3 | 1 |
| 37329678 | 10.1016/j.bmc.2023.117373 | YTH domain-containing family protein 2 | 1 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | YTH domain-containing family protein 2 | 1 |
Data from ChEMBL 36 via Core Engine