Compound Detail
CHEMBL1223844
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 | CHEMBL1223844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKFWFLPFGHSSGI-JXAWBTAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.18
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human dCTPase 1 | 28687206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20692832 | 10.1016/j.bmcl.2010.07.043 | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 20692832 | 10.1016/j.bmcl.2010.07.043 | Unchecked | 2 |
| 20692832 | 10.1016/j.bmcl.2010.07.043 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 28687206 | 10.1016/j.bmcl.2017.06.038 | dCTP pyrophosphatase 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine