Compound Detail
CHEMBL37035
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Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(=N)N)CC1
Basic Information
| ChEMBL ID | CHEMBL37035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTZGOMUZAAZNCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
3.04
ALogP
5
HBA
4
HBD
133.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.78 | 6.78 | 166.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 166.0 | nM | 6.78 | Binding affinity against human thrombin | - |
| Serine protease 1 | Ki | = | 890.0 | nM | 6.05 | Binding affinity against human trypsin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00257-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine