Compound Detail
CHEMBL6060939
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](NC(=O)[C@@H](CCc1ccccc1)NCc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(C(=N)N)cc1
Basic Information
| ChEMBL ID | CHEMBL6060939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFEOTAUKVXGKOG-QXNWPYRLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
547.7
MW (Da)
4.55
ALogP
4
HBA
5
HBD
120.1
PSA (Ų)
0.12
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Mannan-binding lectin serine protease 2 CHEMBL4295646 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannan-binding lectin serine protease 2 | Ki | = | 1500.0 | nM | 5.82 | Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay bu... | - |
| Prothrombin | Ki | = | 1500.0 | nM | 5.82 | Enzymatic Assay for Thrombin: The thrombin assay utilizes a fluorogenic peptide ... | - |
Data from ChEMBL 36 via Core Engine