Compound Detail
CHEMBL3917451
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
CC(C(=O)N(CC(=O)O)Cc1cccc(C(=O)O)c1)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3917451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCLUAJGIZROTHN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.0
MW (Da)
3.78
ALogP
6
HBA
5
HBD
183.1
PSA (Ų)
0.11
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | IC50 | 9.85 | 9.765 | 0.1 | 2 |
| Serine protease 1 CHEMBL209 | IC50 | 9.72 | 9.7 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | IC50 | = | 0.14 | nM | 9.85 | Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d... | - |
| Serine protease 1 | IC50 | = | 0.19 | nM | 9.72 | Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d... | - |
| Serine protease 1 | IC50 | = | 0.21 | nM | 9.68 | Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d... | - |
| Trypsin | IC50 | = | 0.21 | nM | 9.68 | Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d... | - |
Data from ChEMBL 36 via Core Engine