Compound Detail
CHEMBL3640095
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Cc1cccc2c1c(Cn1c(=O)n([C@H](C(=O)O)c3ccccc3)c(=O)c3cnccc31)cn2C
Basic Information
| ChEMBL ID | CHEMBL3640095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQHSCWPCALVZTL-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.08
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
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 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | IC50 | = | 3.1 | nM | 8.51 | In Vitro Assay: In vitro inhibition assay of Chymase. | - |
Data from ChEMBL 36 via Core Engine