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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Tonabersat
Molecular formula	C20H19ClFNO4
IUPAC name	N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide
Molecular weight	391.823
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	N-[(3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-chloro-4-fluorobenzamide SCHEMBL5917016 XLIIRNOPGJTBJD-ROUUACIJSA-N (3S-cis)-N-(6-acetyl-3,4-dihydro-3-hydroxy-2,2 -(dimethyl-d6)-2H-1-benzopyran-4-yl)-3-chloro-4-fluorobenzamide AC1OCFAG DTXSID40169923 KB-81186 SB 220453 Tonabersat, >=98% (HPLC) 2H-Benzo(b)pyran-3-ol, 6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl- C20H19ClFNO4 N-((3S,4S)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl)-3-chloro-4-fluorobenzamide SB17501 W-5238 5-HT1d agonist (migraine), SB CS-0676 N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide ZINC3823813 (3S-cis)-N-(6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-3-chloro-4-fluorobenzamide AJ-45738 ES-0039 MFCD00944458 SB-220453 UNII-2XD9773ZMN 2XD9773ZMN N-[(3S,4S)-6-Acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-3-chloro-4-fluoro-benzamide SB220453 X6315 (3S,4S)-6-Acetyl-4-(3-chloro-4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran 6-acetyl-4-(3-chloro-4-fluorobenzoylamino)-3,4-dihydro-2,2-dimethyl-2H-benzo(b)pyran-3-ol D0E8IZ NCGC00379030-01 Tonabersat [INN:BAN] 175013-84-0 AKOS015994581 HY-15204 MolPort-003-850-578 SB-220453;SB 220453;SB220453 USL-260 5-HT1d agonist (migraine), Minster CHEMBL318191 [ Show all ]
Inchi Key	XLIIRNOPGJTBJD-ROUUACIJSA-N
Inchi ID	InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
PubChem CID	6918324
ChEMBL	CHEMBL318191
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
394894	5-hydroxytryptamine receptor 1D	Q61224	Htr1d	Mus musculus (Mouse)	374

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