Compound Detail
CHEMBL3660184
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N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3660184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVZHCUOVJATBQP-IOWSJCHKSA-N |
10
Targets
20
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
663.9
MW (Da)
2.00
ALogP
7
HBA
6
HBD
193.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 20 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| Plasma kallikrein CHEMBL2000 | Ki | 8.4 | 8.4 | 4.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.4 | 8.4 | 4.0 | 2 |
| Coagulation factor X CHEMBL244 | Ki | 6.4 | 6.4 | 400.0 | 2 |
| Vitamin K-dependent protein C CHEMBL4444 | Ki | 6.07 | 6.07 | 850.0 | 2 |
| Coagulation factor XII CHEMBL2821 | Ki | 6.06 | 6.06 | 870.0 | 2 |
| Coagulation factor XI CHEMBL2820 | Ki | 5.85 | 5.85 | 1400.0 | 2 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 5.62 | 5.62 | 2400.0 | 2 |
| Transcription initiation factor IIA subunit 1 CHEMBL4832 | Ki | 5.31 | 5.31 | 4900.0 | 2 |
| Complement C1s subcomponent CHEMBL3913 | Ki | 5.02 | 5.01 | 9500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine