IBD Research Resource Center

BioID	bio2737
Name	EPINASTINE
ChEMBL ID	CHEMBL1106
Molecular Formula	C16H15N3
Molecular Weight	249.32
Molecular Weight (Monoisotopic)	249.1266
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	EPINASTINA\|EPINASTINE\|PURIVIST\|WAL-801
Smiles	NC1=NCC2c3ccccc3Cc3ccccc3N12
Inchi	InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
Inchi Key	WHWZLSFABNNENI-UHFFFAOYSA-N
Molecular Species	BASE
Targets	44.0
Bioactivities	81.0
Np Likeness Score	-0.08
Records Key	['Epinastine', '24, Epinastine', 'Epinastine', 'Epinastine', 'SID29217549', '4', 'SID50111706', 'epinastine', 'Epinastine', 'epinastine', 'EPINASTINE HCL', 'epinastine', 'epinastine', 'EPINASTINE', 'SID90340676', 'Epinastine HCl', 'Epinastine HCl', 'EPINASTINE', 'Epinastine HCl', 'COVC-1751487201', 'epinastine']
Records Name	['Epinastine', '8,12b-Dihydro-1H-2,3a-diaza-dibenzo[e,h]azulen-3-ylamine', '8,12b-Dihydro-1H-2,3a-diaza-dibenzo[e,h]azulen-3-ylamine', '8,12b-Dihydro-1H-2,3a-diaza-dibenzo[e,h]azulen-3-ylamine', 'SID29217549', '3-Amino-8,12b-dihydro-1H-3a-aza-2-azonia-dibenzo[e,h]azulene', 'SID50111706', 'Epinastine', '8,12b-Dihydro-1H-2,3a-diaza-dibenzo[e,h]azulen-3-ylamine', 'epinastine', 'EPINASTINE HCL', 'epinastine', 'epinastine', 'EPINASTINE', 'SID90340676', 'Epinastine HCl', 'Epinastine HCl', 'EPINASTINE', 'Epinastine HCl', 'EPINASTINE', 'epinastine']
Withdrawn Flag	False
Orphan	0