ATOPAXAR HYDROBROMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K3D2WJ7U0I

Structure
InChI Key UNMBLVOFOAGGCG-UHFFFAOYSA-N
Smile Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2
InChI
InChI=1S/C29H38FN3O5.BrH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H39BrFN3O5
Molecular Weight 608.55
AlogP 4.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 84.32
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Protease-activated receptor Protease-activated receptor
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105699
FDA SRS K3D2WJ7U0I
PubChem 22929978
SureChEMBL SCHEMBL1728925
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