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Compound Detail

CHEMBL1922660

FIBOFLAPON
🧪 Phase III
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🧪 Phase III
CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1922660
Name FIBOFLAPON
Phase Phase III
Structure Type MOL
InChI Key DFQGDHBGRSTTHX-UHFFFAOYSA-N

Known Names

AM-803 Am803 Fiboflapon GSK-2190915 GSK2190915 GSK2190915B
5
Targets
14
Activities
1
Assay Types
6
PK Parameters
17
Publications
6
Known Names
1
Indications
1
Mechanisms

Molecular Properties

637.9
MW (Da)
8.98
ALogP
7
HBA
1
HBD
86.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product Chemical Probe
USAN Stem -flapon
USAN Year 2010

Extended Properties

Molecular Formula C38H43N3O4S
MW 637.85
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -0.80

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
5-lipoxygenase activating protein inhibitor INHIBITOR Arachidonate 5-lipoxygenase-activating protein ✓ ✓

Indications

Asthma

Activity Summary

IC50 14 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 IC50 9.15 8.1811 0.7 9
Arachidonate 5-lipoxygenase-activating protein
CHEMBL1921661
 IC50 7.8 7.21 16.0 2
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 4.7 4.7 20000.0 1
Leukotriene C4 synthase
CHEMBL1743183
 IC50 4.44 4.44 36000.0 1
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 4.24 4.24 58000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.6 mL.min-1.kg-1 Canis lupus familiaris
CL 6.92 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 9.77 mL.min-1.g-1 Homo sapiens
F 51.0 % Canis lupus familiaris
T1/2 13.0 hr Canis lupus familiaris
Vd 0.2 L.kg-1 Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein IC50 = 0.7 nM 9.15 Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.0 nM 9.0 Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 1.0 nM 9.0 Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.9 nM 8.54 Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-y... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 2.9 nM 8.54 Binding Assay: Compound 2 was examined for its ability to bind human FLAP using ... -
Arachidonate 5-lipoxygenase-activating protein IC50 = 4.0 nM 8.4 Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 16.0 nM 7.8 Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophor... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 26.0 nM 7.58 Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 76.0 nM 7.12 Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionoph... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 239.0 nM 6.62 Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophor... 22059882
Arachidonate 5-lipoxygenase-activating protein IC50 = 506.0 nM 6.3 Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionoph... 22059882
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 20000.0 nM 4.7 Inhibition of 5-lipoxygenase 22059882
Leukotriene C4 synthase IC50 = 36000.0 nM 4.44 Inhibition of LTC4 synthase 22059882
Prostaglandin G/H synthase 1 IC50 = 58000.0 nM 4.24 Inhibition of COX1-mediated TXB2 production in human whole blood after 30 mins b... 22059882

Literature References

PubMed DOI Target Context # Activities
22059882 10.1021/jm2008369 Arachidonate 5-lipoxygenase-activating protein 10
22059882 10.1021/jm2008369 Plasma 5
22059882 10.1021/jm2008369 Canis familiaris 4
22059882 10.1021/jm2008369 Rattus norvegicus 4
22059882 10.1021/jm2008369 Cytochrome P450 3A4 3
- 10.6019/CHEMBL3301361 ADMET 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
22059882 10.1021/jm2008369 Leukotriene A-4 hydrolase 1
22059882 10.1021/jm2008369 Cytochrome P450 1A2 1
22059882 10.1021/jm2008369 Cytochrome P450 2C19 1
22059882 10.1021/jm2008369 Prostaglandin G/H synthase 2 1
22059882 10.1021/jm2008369 Polyunsaturated fatty acid 5-lipoxygenase 1
22059882 10.1021/jm2008369 Leukotriene C4 synthase 1
22059882 10.1021/jm2008369 Cytochrome P450 2D6 1
22059882 10.1021/jm2008369 Cytochrome P450 2C9 1
22059882 10.1021/jm2008369 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine