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Compound Detail

CHEMBL15766

LY-255283
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CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15766
Name LY-255283
Phase Preclinical
Structure Type MOL
InChI Key WCGXJPFHTHQNJL-UHFFFAOYSA-N
7
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.59
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N4O3
MW 360.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.25

Activity Summary

IC50 12 meas. best 7.07
Ki 7 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor
CHEMBL2095160
 Ki 7.11 7.0967 77.0 3
Leukotriene B4 receptor 1
CHEMBL3911
 Ki 7.11 7.11 77.0 2
Leukotriene B4 receptor
CHEMBL2095160
 IC50 7.07 6.305 85.0 2
Leukotriene B4 receptor 1
CHEMBL3911
 IC50 7.07 7.0675 85.0 4
Leukotriene B4 receptor 2
CHEMBL3191
 IC50 6.95 6.885 113.0 2
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 5.57 5.57 2684.7 1
Homo sapiens
CHEMBL372
 IC50 5.54 5.4033 2874.0 3
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 5.24 5.24 5784.9 1
Bile acid receptor
CHEMBL2047
 IC50 4.45 4.45 35200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor Ki = 77.0 nM 7.11 Inhibition of specific binding of [3H]-LTB4 to LTB4 receptor in guinea pig lung ... -
Leukotriene B4 receptor Ki = 78.0 nM 7.11 Binding affinity towards Leukotriene B4 receptor guinea pig lung membrane using ... 7473568
Leukotriene B4 receptor 1 Ki = 77.0 nM 7.11 Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in... -
Leukotriene B4 receptor 1 Ki = 77.9 nM 7.11 Binding affinity against LTB4 receptor in guinea pig membrane -
Leukotriene B4 receptor 1 IC50 = 85.1 nM 7.07 Inhibition of [3H]Leukotriene B4 binding to human PMN 8057289
Leukotriene B4 receptor 1 IC50 = 85.1 nM 7.07 Inhibition against LTB4 receptor in human neutrophil -
Leukotriene B4 receptor IC50 = 85.0 nM 7.07 Inhibition of specific binding of [3H]LTB4 to LTB4 receptor in human neutrophils -
Leukotriene B4 receptor Ki = 85.0 nM 7.07 Binding affinity towards human LTB4 receptor measured as inhibition of binding o... 7473568
Leukotriene B4 receptor 1 IC50 = 85.0 nM 7.07 In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition... -
Leukotriene B4 receptor 1 IC50 = 87.0 nM 7.06 Compound was tested for inhibitory activity against human neutrophil LTB4 recept... 8709092
Leukotriene B4 receptor 2 IC50 = 113.0 nM 6.95 Antagonist activity at human BLT2 expressed in CHO cells assessed as inhibition ... 37839347
Leukotriene B4 receptor 2 IC50 = 150.0 nM 6.82 Displacement of [3H]LTB4 from HA-epitope tagged human BLT2 expressed in CHOK1 ce... 32832019
5-hydroxytryptamine receptor 2B Ki = 2684.72 nM 5.57 PDSP Secondary Binding target: HTR2B - Compounds are tested at 10 uM concentrati... -
Leukotriene B4 receptor IC50 = 2900.0 nM 5.54 Inhibition of LTB4 induced expression of human neutrophil integrin CD11b/CD18. 7473568
Homo sapiens IC50 = 2874.0 nM 5.54 Antagonism of LTB4 receptor induced CD11b/CD18 adhesion protein up-regulation in... -
Homo sapiens IC50 = 2874.0 nM 5.54 Compound was tested in vitro inhibitory activity against human neutrophil CD11b/... 8709092
Sigma non-opioid intracellular receptor 1 Ki = 5784.95 nM 5.24 PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra... -
Homo sapiens IC50 = 7400.0 nM 5.13 Compound was evaluated for inhibition of LTB4 induced chemotaxis of human neutro... -
Bile acid receptor IC50 = 35200.0 nM 4.45 Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhi... 24513188

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724696 U2OS 24
- 10.6019/CHEMBL5724696 TERT-RPE1 12
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4689842 Fibroblast 9
- 10.6019/CHEMBL4689842 U2OS 8
37839347 10.1016/j.ejmech.2023.115864 Mus musculus 4
- 10.1016/S0960-894X(00)80304-2 Leukotriene B4 receptor 1 3
7473568 10.1021/jm00022a006 Leukotriene B4 receptor 3
- 10.1016/S0960-894X(00)80304-2 Cavia porcellus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.1016/S0960-894X(01)81000-3 Leukotriene B4 receptor 2
1316967 10.1021/jm00088a018 Leukotriene B4 receptor 1 2
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.1016/S0960-894X(01)80999-9 Leukotriene B4 receptor 1 2
8709092 10.1021/jm960088k Cavia porcellus 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2

Data from ChEMBL 36 via Core Engine