Compound Detail
CHEMBL4470585
GSK2798745 🧪 Phase II
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🧪 Phase II
CC(C)(O)c1cnc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1
Basic Information
| ChEMBL ID | CHEMBL4470585 |
| Name | GSK2798745 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | URCMKDJBULWNAI-DQEYMECFSA-N |
2
Targets
4
Activities
1
Assay Types
5
PK Parameters
20
Publications
2
Known Names
5
Indications
1
Mechanisms
Molecular Properties
460.5
MW (Da)
3.90
ALogP
8
HBA
1
HBD
117.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 antagonist | ANTAGONIST | Transient receptor potential cation channel subfamily V member 4 | ✓ | ✓ |
Indications
Heart Failure Heart Failure Pulmonary Edema Cough Macular Edema
Activity Summary
IC50 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL2775 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 8.74 | 8.7267 | 1.8 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 79.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 59.0 | % | Rattus norvegicus |
| Fu | 0.082 | - | Rattus norvegicus |
| MRT | 4.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of rat TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-in... | 31413810 |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-... | 31413810 |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 1.8 | nM | 8.74 | Antagonist activity at human TRPV4 | 31532662 |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at human TRPV4 | 34531959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | ADMET | 6 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 6 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | Transient receptor potential cation channel subfamily V member 4 | 2 |
| 34531959 | 10.1021/acsmedchemlett.1c00406 | ADMET | 1 |
| 34531959 | 10.1021/acsmedchemlett.1c00406 | No relevant target | 1 |
| 34531959 | 10.1021/acsmedchemlett.1c00406 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| 31532662 | 10.1021/acs.jmedchem.9b01247 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine