Compound Detail
CHEMBL3660176
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CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3660176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCJKXYYLKAMQSD-JHOUSYSJSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
695.9
MW (Da)
2.77
ALogP
7
HBA
6
HBD
186.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Plasma kallikrein CHEMBL2000 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Coagulation factor XII CHEMBL2821 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 6.12 | 6.12 | 750.0 | 1 |
| Coagulation factor XI CHEMBL2820 | Ki | 6.06 | 6.06 | 870.0 | 1 |
| Vitamin K-dependent protein C CHEMBL4444 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Transcription initiation factor IIA subunit 1 CHEMBL4832 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| Complement C1s subcomponent CHEMBL3913 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine