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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	CHEMBL104692
Molecular formula	C20H21N5O3
IUPAC name	N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-nitrobenzamide
Molecular weight	379.42
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SCHEMBL7007206 BDBM50130451 JAYOKUDGYAUIEC-UHFFFAOYSA-N 5-(N-[4-nitrobenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-nitro-benzamide
Inchi Key	JAYOKUDGYAUIEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N5O3/c1-24-10-8-13(9-11-24)16-12-21-17-6-7-18(22-19(16)17)23-20(26)14-2-4-15(5-3-14)25(27)28/h2-7,12-13,21H,8-11H2,1H3,(H,22,23,26)
PubChem CID	10872581
ChEMBL	CHEMBL104692
IUPHAR	N/A
BindingDB	50130451
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
146436	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
146438	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
146439	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
146437	5-hydroxytryptamine receptor 1F	P30939	HTR1F	Homo sapiens (Human)	366

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