Compound Detail
CHEMBL275835
DARBUFELONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL275835 |
| Name | DARBUFELONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AKTXOQVMWSFEBQ-LCYFTJDESA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
2
Known Names
Molecular Properties
332.5
MW (Da)
4.13
ALogP
4
HBA
3
HBD
73.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 7 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| RBL-1 CHEMBL614772 | IC50 | 6.96 | 6.44 | 110.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 69.0 | nM | 7.16 | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell ... | 10197959 |
| RBL-1 | IC50 | = | 110.0 | nM | 6.96 | Compound was tested for its inhibitory activity against PGF-2 alpha (CO) formati... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed... | 23517721 |
| Prostaglandin G/H synthase 1 | IC50 | = | 600.0 | nM | 6.22 | IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma | 10197959 |
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Inhibition of potato 5-LOX using arachidonic acid as substrate assessed as produ... | 23517721 |
| RBL-1 | IC50 | = | 1200.0 | nM | 5.92 | Compound was tested for its inhibitory activity against LTB4 (5-LO) formation in... | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate asse... | 23517721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 2 | 2 |
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.1016/S0960-894X(00)80051-7 | RBL-1 | 2 |
| 23517721 | 10.1016/j.bmc.2013.02.033 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80051-7 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80051-7 | Unchecked | 1 |
| 23517721 | 10.1016/j.bmc.2013.02.033 | Prostaglandin G/H synthase 1 | 1 |
| 23517721 | 10.1016/j.bmc.2013.02.033 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine