Compound Detail
CHEMBL4098653
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Basic Information
| ChEMBL ID | CHEMBL4098653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXTBDIBPXYTNCC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
5.97
ALogP
5
HBA
0
HBD
51.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapt... | 28655422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28655422 | 10.1016/j.bmcl.2017.06.039 | dCTP pyrophosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine