mirabegron (myrbetriq) Report issue

Small molecule Approved FDA First in Class
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

396.506

ALogP

2.77

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1
  • InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N
    1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2095212   ChEMBL
mirabegron

MVR3JL3B2V   NCATS
mirabegron *

Mirabegron   Wikipedia

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