Compound Detail
CHEMBL5203243
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
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCC(=O)NCc3cccc(COc4nc(N)nc5[nH]cnc45)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5203243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYHGBMBMORPOPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
653.2
MW (Da)
6.95
ALogP
9
HBA
4
HBD
153.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | Kd | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | Kd | = | 14300.0 | nM | 4.84 | Binding affinity to calf thymus DNA assessed as intercalation by measuring disso... | 34731767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34731767 | 10.1016/j.ejmech.2021.113909 | No relevant target | 9 |
| 34731767 | 10.1016/j.ejmech.2021.113909 | T98G | 4 |
| 34731767 | 10.1016/j.ejmech.2021.113909 | Calf thymus DNA | 3 |
| 34731767 | 10.1016/j.ejmech.2021.113909 | Methylated-DNA--protein-cysteine methyltransferase | 3 |
Data from ChEMBL 36 via Core Engine