Compound Detail
CHEMBL225513
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Basic Information
| ChEMBL ID | CHEMBL225513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJZSQGDOCUHCCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.58
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay | 15588081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17166721 | 10.1016/j.bmc.2006.11.037 | NON-PROTEIN TARGET | 3 |
| 21073191 | 10.1021/jm101206p | BDNF/NT-3 growth factors receptor | 3 |
| 25815140 | 10.1021/ml500343r | Sodium/nucleoside cotransporter 2 | 3 |
| 17166721 | 10.1016/j.bmc.2006.11.037 | Radical scavenging activity | 2 |
| 15588081 | 10.1021/jm040810b | Telomerase reverse transcriptase | 1 |
| 1800636 | 10.1021/np50077a018 | Unchecked | 1 |
| 1812215 | 10.1021/np50078a027 | A549 | 1 |
| 1812215 | 10.1021/np50078a027 | MCF7 | 1 |
| 1812215 | 10.1021/np50078a027 | HT-29 | 1 |
| 1812215 | 10.1021/np50078a027 | SK-MEL | 1 |
| 1812215 | 10.1021/np50078a027 | Malme-3M | 1 |
| 1479375 | 10.1021/np50089a001 | Tyrosine-protein kinase Lck | 1 |
| 20692831 | 10.1016/j.bmcl.2010.07.068 | NON-PROTEIN TARGET | 1 |
| 38065293 | 10.1016/j.bmcl.2023.129577 | Transient receptor potential cation channel subfamily V member 3 | 1 |
Data from ChEMBL 36 via Core Engine