Compound Detail
CHEMBL5598203
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Basic Information
| ChEMBL ID | CHEMBL5598203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXWNTWYVQBQGSL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
5.04
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.13
Kd 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YTH domain-containing protein 1 CHEMBL5169187 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| YTH domain-containing protein 1 CHEMBL5169187 | Kd | 7.53 | 7.53 | 29.6 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YTH domain-containing protein 1 | IC50 | = | 7.4 | nM | 8.13 | Inhibition of YTHDC1 (unknown origin) by HTRF assay | 38805939 |
| YTH domain-containing protein 1 | Kd | = | 29.6 | nM | 7.53 | Binding affinity to YTHDC1 (unknown origin) assessed as dissociation constant | 38805939 |
| MOLM-13 | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against human MOLM-13 cells assessed as reduction in ... | 38805939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38805939 | 10.1016/j.ejmech.2024.116526 | YTH domain-containing protein 1 | 2 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine