MIVEBRESIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII VR86R11J7J

Structure

InChI Key RDONXGFGWSSFMY-UHFFFAOYSA-N
Smiles CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChI
InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19F2N3O4S
Molecular Weight 459.47
AlogP 4.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 93.19
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Reader Bromodomain
20 1-74 87 1-15 70-100
Epigenetic regulator Writer Histone acetyltransferase p300/CBP family
- 63 87 - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - - 87-97
Membrane receptor
- 800 - - 87-97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
13-20 1-800 87 1-15 42.7-100
Rattus norvegicus
- - - - 86

Cross References

Resources Reference
ChEMBL CHEMBL3987016
FDA SRS VR86R11J7J
Guide to Pharmacology 9117
PDB 8NG
PubChem 71600087
SureChEMBL SCHEMBL15068241
ZINC ZINC000146486516
CONTENTS