Compound Detail
CHEMBL3771039
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Basic Information
| ChEMBL ID | CHEMBL3771039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZZMVIJAJIPIOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
4.31
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 CHEMBL3769292 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.007 | - | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dCTP pyrophosphatase 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant full length dCTPase expressed in Escherichia col... | 26771665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26771665 | 10.1021/acs.jmedchem.5b01741 | dCTP pyrophosphatase 1 | 1 |
| 26771665 | 10.1021/acs.jmedchem.5b01741 | No relevant target | 1 |
| 26771665 | 10.1021/acs.jmedchem.5b01741 | ADMET | 1 |
| 26771665 | 10.1021/acs.jmedchem.5b01741 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine