Compound Detail
CHEMBL4112354
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COc1cc(COc2c(C)cccc2-c2csc(N3CC[C@@H](C(=O)O)[C@@H](OC)C3)n2)c(F)c2c1CN(C1CCOCC1)CC2
Basic Information
| ChEMBL ID | CHEMBL4112354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHDJMVBRCRLWHM-IRPSRAIASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
625.8
MW (Da)
5.31
ALogP
9
HBA
1
HBD
93.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Soluble guanylate cyclase CHEMBL2111348 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Soluble guanylate cyclase | EC50 | = | 2.0 | nM | 8.7 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
| Unchecked | EC50 | = | 2.0 | nM | 8.7 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
Data from ChEMBL 36 via Core Engine