ATECEGATRAN METOXIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4GU1D587JV

Structure
InChI Key XSNMGLZVFNDDPW-ZWKOTPCHSA-N
Smile CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1
InChI
InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClF2N4O5
Molecular Weight 496.9
AlogP 2.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 123.98
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297593
DrugBank DB12507
FDA SRS 4GU1D587JV
Guide to Pharmacology 7682
PubChem 9961205
SureChEMBL SCHEMBL9914214
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