Compound Detail
CHEMBL3185589
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Basic Information
| ChEMBL ID | CHEMBL3185589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCXCGYSVONOGSX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
6.25
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 CHEMBL3430885 | IC50 | 7.21 | 7.185 | 61.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.09667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | IC50 | = | 61.0 | nM | 7.21 | Inhibition Assay: This example demonstrates reversible inhibition of USP1/UAF1 b... | - |
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay | 25229643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25229643 | 10.1021/jm5010495 | Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | 1 |
| 25229643 | 10.1021/jm5010495 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine