Compound Detail
CHEMBL5205749
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N#Cc1c(-c2ccccc2)nc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL5205749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWQRUFQLHMUYAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
7.02
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 5900.0 | nM | 5.23 | Antiproliferative activity against human K562 cells assessed as reduction in cel... | 34731763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34731763 | 10.1016/j.ejmech.2021.113952 | K562 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | ML-2 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | RS4-11 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | MV4-11 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | CCRF-CEM | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | KOPN-8 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | Cyclin-dependent kinase 2 | 1 |
| 34731763 | 10.1016/j.ejmech.2021.113952 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine