Compound Detail
CHEMBL1631756
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CCOc1ccccc1C[C@@H]1C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1631756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMLCERQHDFMHKR-DLFZDVPBSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.69
ALogP
5
HBA
2
HBD
105.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human Chymase | 20970895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20970895 | 10.1016/j.ejmech.2010.09.035 | Chymase | 1 |
| 20970895 | 10.1016/j.ejmech.2010.09.035 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine