Compound Detail
CHEMBL4088896
LY2623091 🧪 Phase II
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🧪 Phase II
C[C@H](CN1CCOCC1)n1/c(=N\C(N)=O)[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc21
Basic Information
| ChEMBL ID | CHEMBL4088896 |
| Name | LY2623091 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YPCLDHGBEKZGEB-RUDKWAFVSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
3
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
527.6
MW (Da)
4.46
ALogP
5
HBA
2
HBD
97.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mineralocorticoid receptor antagonist | ANTAGONIST | Mineralocorticoid receptor | ✓ | ✓ |
Indications
Essential Hypertension Renal Insufficiency, Chronic
Activity Summary
Ki 1 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | Ki | 9.48 | 9.48 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.000104 | - | Rattus norvegicus |
| Fu | 8.38 | 10'-5No_unit | Rattus norvegicus |
| Fu | 0.000192 | - | Rattus norvegicus |
| Fu | 0.00041 | - | Rattus norvegicus |
| Fu | 0.000706 | - | Rattus norvegicus |
| Fu | 5.36 | 10'-5No_unit | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 0.33 | nM | 9.48 | Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measur... | 28051871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31732255 | 10.1016/j.ejmech.2019.111813 | ADMET | 18 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Unchecked | 3 |
| 28051871 | 10.1021/acs.jmedchem.6b01065 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine