Compound Detail
CHEMBL1160805
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CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(=N)N)cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL1160805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSQMPBMPAVBLCK-RQEWZCSHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
748.9
MW (Da)
6.27
ALogP
6
HBA
6
HBD
175.5
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Plasminogen CHEMBL3204 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | Ki | = | 500.0 | nM | 6.3 | Inhibitory activity of compound against human plasma Kallikrein (PK) | 10091673 |
| Plasminogen | Ki | = | 500.0 | nM | 6.3 | Inhibitory activity of compound against Plasmin (HP) | 10091673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091673 | 10.1016/s0960-894x(98)00562-9 | Plasma kallikrein | 1 |
| 10091673 | 10.1016/s0960-894x(98)00562-9 | Kallikrein-1 | 1 |
| 10091673 | 10.1016/s0960-894x(98)00562-9 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine