Compound Detail
CHEMBL1374067
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Basic Information
| ChEMBL ID | CHEMBL1374067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPRVGNYBRCIJBM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.40
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 7.05 | 7.05 | 88.3 | 1 |
| Plasma kallikrein CHEMBL2000 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 88.31 | nM | 7.05 | PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay:... | - |
| Plasma kallikrein | IC50 | = | 55000.0 | nM | 4.26 | KLKB1 Activity Assay: Human KLKB1 protein was obtained from Enzyme Research Labs... | - |
Data from ChEMBL 36 via Core Engine