Compound Detail
CHEMBL1504370
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 | CHEMBL1504370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHNWGCUMEYITOR-WDZFZDKYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
34.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 20100.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 20100.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-lab... | 23006064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23006064 | 10.1021/jm3008773 | Tyrosyl-DNA phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine