Compound Detail
CHEMBL3961661
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Cc1ccc(OCc2ccc3c(c2C)CCN(C2CCOC2)C3)c(-c2csc(N3CC[C@@]4(C(=O)O)C[C@H]4C3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3961661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKWIHMUMQAPUDE-PAQZSMAGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
5.45
ALogP
7
HBA
1
HBD
75.1
PSA (Ų)
0.41
QED
2
Ro5 Violations
7
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