Compound Detail
CHEMBL3960701
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COC[C@H]1N(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3F)CCN(C3CCOCC3)CC4)n2)C[C@@H]2C[C@@]21C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3960701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSCHBXSESJMUQS-IDJVADSYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
5.28
ALogP
7
HBA
1
HBD
84.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Soluble guanylate cyclase CHEMBL2111348 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Soluble guanylate cyclase | EC50 | = | 3.0 | nM | 8.52 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
| Unchecked | EC50 | = | 3.0 | nM | 8.52 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
Data from ChEMBL 36 via Core Engine