Compound Detail
CHEMBL2152712
LY-3031207 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL2152712 |
| Name | LY-3031207 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | MBAHGUNQNAJTLD-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
1
PK Parameters
20
Publications
2
Known Names
Molecular Properties
334.8
MW (Da)
2.98
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 7 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.62 | 6.27 | 240.0 | 6 |
| Prostaglandin E synthase CHEMBL3341581 | IC50 | 6.26 | 6.26 | 555.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 60.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human mPGES-1 | 24900537 |
| Prostaglandin E synthase | IC50 | = | 241.0 | nM | 6.62 | Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysi... | 26653180 |
| Prostaglandin E synthase | IC50 | = | 555.0 | nM | 6.26 | Inhibition of mPGES1 in LPS-induced dog whole blood assessed as suppression of P... | 26653180 |
| Prostaglandin E synthase | IC50 | = | 740.0 | nM | 6.13 | Inhibition of mPGES-1 in human whole blood | 24900537 |
| Prostaglandin E synthase | IC50 | = | 744.0 | nM | 6.13 | Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of... | 26653180 |
| Prostaglandin E synthase | IC50 | = | 870.0 | nM | 6.06 | Inhibition of human mPGES-1 assessed as production of PGE2 by cell based assay | 24900537 |
| Prostaglandin E synthase | IC50 | = | 870.0 | nM | 6.06 | Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 ... | 26653180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29425457 | 10.1021/acs.jmedchem.7b01806 | ADMET | 44 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Prostaglandin E synthase | 6 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| 24900537 | 10.1021/ml300201e | Prostaglandin E synthase | 3 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Cyclooxygenase | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 2 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Prostaglandin G/H synthase 1 | 1 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Unchecked | 1 |
| 26653180 | 10.1021/acs.jmedchem.5b01249 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine