Compound Detail
CHEMBL2322964
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2322964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKDKMZHAOXZKID-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.06
ALogP
6
HBA
3
HBD
114.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 5.3 | 5.3 | 5000.0 | 2 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 5000.0 | nM | 5.3 | Gel-Based Assay: Tdp1 reactions were performed as recently described. Briefly, a... | - |
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 5000.0 | nM | 5.3 | Gel-based Assay : A 5′-[32P]-labeled single-stranded DNA oligonucleotide contain... | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 8400.0 | nM | 5.08 | Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RX... | 23472886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23472886 | 10.1021/jm400026k | Retinoic acid receptor RXR-alpha | 3 |
| 23472886 | 10.1021/jm400026k | COS-1 | 1 |
Data from ChEMBL 36 via Core Engine