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

CHEMBL88712

VELIFLAPON
🧪 Phase III
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 III
O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88712
Name VELIFLAPON
Phase Phase III
Structure Type MOL
InChI Key ZEYYDOLCHFETHQ-JOCHJYFZSA-N

Known Names

BAY X 1005 BAY X-1005 BAY-X-005 BAY-X-1005 DG-031 Veliflapon
4
Targets
8
Activities
1
Assay Types
1
PK Parameters
15
Publications
6
Known Names
1
Indications
1
Mechanisms

Molecular Properties

361.4
MW (Da)
5.17
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -flapon
USAN Year 2005

Extended Properties

Molecular Formula C23H23NO3
MW 361.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.53

Mechanism of Action

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

Indications

Acute Coronary Syndrome

Activity Summary

IC50 8 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.58 7.58 26.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 7.22 6.2733 60.0 3
Homo sapiens
CHEMBL372
 IC50 6.66 5.6067 220.0 3
Histone deacetylase 6
CHEMBL1865
 IC50 6.18 6.18 655.8 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 4.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 26.0 nM 7.58 Compound was tested for in vitro inhibition against Rat PMNL 8709092
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 60.0 nM 7.22 Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neu... 10691695
Homo sapiens IC50 = 220.0 nM 6.66 Compound was tested for in vitro inhibition against human PMNL. 8709092
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 220.0 nM 6.66 Inhibition of 5-LOX in human PMNL cells assessed as inhibition of LTB4 formation... 28784429
Histone deacetylase 6 IC50 = 655.8 nM 6.18 Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... -
Homo sapiens IC50 = 6000.0 nM 5.22 Inhibition of Leukotriene biosynthesis in human whole blood assessed as inhibiti... 28784429
Homo sapiens IC50 = 11600.0 nM 4.94 Compound was tested for in vitro inhibition against human whole blood. 8709092
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 11600.0 nM 4.94 Inhibition of 5-LOX in human whole blood assessed as inhibition of LTB4 formatio... 28784429

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 4
8709092 10.1021/jm960088k Rattus norvegicus 2
8709092 10.1021/jm960088k Homo sapiens 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
28784429 10.1016/j.ejmech.2017.07.019 Polyunsaturated fatty acid 5-lipoxygenase 2
8709092 10.1021/jm960088k Mus musculus 1
8709092 10.1021/jm960088k Cavia porcellus 1
8709092 10.1021/jm960088k ADMET 1
10691695 10.1021/jm9904102 Polyunsaturated fatty acid 5-lipoxygenase 1
10691695 10.1021/jm9904102 Rattus norvegicus 1
- 10.6019/CHEMBL3301361 ADMET 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
28784429 10.1016/j.ejmech.2017.07.019 Homo sapiens 1
28784429 10.1016/j.ejmech.2017.07.019 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine