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Compound Detail

CHEMBL1618279

REVAPRAZAN
🧪 Phase II
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🧪 Phase II
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618279
Name REVAPRAZAN
Phase Phase II
Structure Type MOL
InChI Key LECZXZOBEZITCL-UHFFFAOYSA-N

Known Names

Revaprazan SB-641257 YH-1885 FREE BASE
1
Targets
10
Activities
1
Assay Types
0
PK Parameters
14
Publications
3
Known Names
1
Indications

Molecular Properties

362.4
MW (Da)
5.10
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -prazan
USAN Year 2003

Extended Properties

Molecular Formula C22H23FN4
MW 362.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Indications

Gastroesophageal Reflux

Activity Summary

IC50 10 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.02 5.391 950.0 10

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 950.0 nM 6.02 Inhibition of pig gastric H+/K+-ATPase in stomach ion leaky membrane vesicle ass... 27013393
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 2300.0 nM 5.64 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 2800.0 nM 5.55 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 4500.0 nM 5.35 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 6000.0 nM 5.22 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 7700.0 nM 5.11 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 8700.0 nM 5.06 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 9100.0 nM 5.04 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136
Unchecked IC50 = 11000.0 nM 4.96 Inhibition of N-terminal Flag-GFP-TEV site-Met48 recombinant pig gastric H(+)/K(... 35604136

Literature References

PubMed DOI Target Context # Activities
35604136 10.1021/acs.jmedchem.2c00338 Unchecked 17
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
27013393 10.1016/j.bmcl.2016.03.051 Unchecked 1
- 10.6019/CHEMBL4513161 Candida albicans 1
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513161 Escherichia coli 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 HEK293 1

Data from ChEMBL 36 via Core Engine