Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL16596

QUIFLAPON
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16596
Name QUIFLAPON
Phase Phase II
Structure Type MOL
InChI Key NZOONKHCNQFYCI-UHFFFAOYSA-N

Known Names

L-686708 Quiflapon
10
Targets
39
Activities
1
Assay Types
1
PK Parameters
20
Publications
2
Known Names

Molecular Properties

587.2
MW (Da)
9.01
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -flapon
USAN Year 1995

Extended Properties

Molecular Formula C34H35ClN2O3S
MW 587.19
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.56

Activity Summary

IC50 39 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 2C9
CHEMBL3397
 IC50 9.3 9.3 0.5 1
Homo sapiens
CHEMBL372
 IC50 9.3 7.5462 0.5 13
Unchecked
CHEMBL612545
 IC50 9.3 7.87 0.5 3
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 8.8 6.0 1.6 5
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 IC50 8.8 8.56 1.6 8
Cytochrome P450 3A4
CHEMBL340
 IC50 8.24 6.76 5.8 2
Cytochrome P450 2D6
CHEMBL289
 IC50 7.96 7.96 11.0 1
5-lipoxygenase/FLAP
CHEMBL2111402
 IC50 6.7 5.9 200.0 2
Whole blood
CHEMBL2367389
 IC50 6.3 6.3 500.0 1
Blood
CHEMBL613416
 IC50 6.29 6.28 510.0 2

Pharmacokinetic Data

Parameter Value Units Species
F 24.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.5 nM 9.3 Inhibition of calcium ionophore A-23187-stimulated LTB4 production in human leuk... 19739647
Homo sapiens IC50 = 0.5 nM 9.3 Effect on production of LTB4 in human polymorphonuclear (HPMN) leukocytes 8164257
Cytochrome P450 2C9 IC50 = 0.5 nM 9.3 Inhibition of CYP2C9 19739647
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.6 nM 8.8 Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane p... 7473582
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.6 nM 8.8 Displacement of [125I]L-691831 from FLAP 18276139
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 1.6 nM 8.8 Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5... 24508141
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.0 nM 8.7 The compound was tested for the inhibition of binding of [125I]- L- 691,831 bind... -
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.0 nM 8.7 Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase act... 10476875
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.0 nM 8.7 Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-y... 19739647
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.0 nM 8.7 Displacement of [125I]-L-691831 from FLAP in human Leucocyte membrane incubated ... 28784429
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.3 nM 8.64 Compound was tested for its binding activity towards 5-lipoxygenase activating p... -
Homo sapiens IC50 = 3.0 nM 8.52 Leukotriene synthesis inhibition activity in the Human PMN assay -
Homo sapiens IC50 = 3.0 nM 8.52 Effect on production of LTB4 in human polymorphonuclear (HPMN) leukocytes 8164257
Homo sapiens IC50 = 3.0 nM 8.52 Compound was evaluated for production of leukotriene B4 in Ca+2 -ionophore -acti... 9288168
Homo sapiens IC50 = 3.0 nM 8.52 In vitro inhibition of LTB4 formation in human peripheral blood polymorphonuclea... 8120869
Homo sapiens IC50 = 3.0 nM 8.52 Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... 8831761
Unchecked IC50 = 3.1 nM 8.51 Inhibition of calcium ionophore-stimulated LTB4 production in human PMN cells 18276139
Homo sapiens IC50 = 4.0 nM 8.4 In vitro inhibition of LTB4 biosynthesis in Ca++ ionophore activated human polym... 10476875
Cytochrome P450 3A4 IC50 = 5.8 nM 8.24 Inhibition of CYP3A4 19739647
Cytochrome P450 2D6 IC50 = 11.0 nM 7.96 Inhibition of CYP2D6 19739647

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
10476875 10.1016/s0960-894x(99)00399-6 Rattus norvegicus 5
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
10476875 10.1016/s0960-894x(99)00399-6 Homo sapiens 2
9288168 10.1021/jm970046b Canis familiaris 2
9288168 10.1021/jm970046b Rattus norvegicus 2
9288168 10.1021/jm970046b Homo sapiens 2
8164257 10.1021/jm00034a013 Homo sapiens 2
8164257 10.1021/jm00034a013 Unchecked 2
8120869 10.1021/jm00030a010 Homo sapiens 2
8410991 10.1021/jm00071a008 Monkey 2
10476875 10.1016/s0960-894x(99)00399-6 Canis familiaris 2
- 10.1016/S0960-894X(00)80520-X Homo sapiens 2
- 10.1016/S0960-894X(96)00271-5 5-lipoxygenase/FLAP 2
8831761 10.1021/jm960301c Homo sapiens 2
19739647 10.1021/jm900945d Cytochrome P450 3A4 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
28784429 10.1016/j.ejmech.2017.07.019 Arachidonate 5-lipoxygenase-activating protein 1
- 10.1016/S0960-894X(96)00271-5 Rattus norvegicus 1
8831761 10.1021/jm960301c Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine