CHEBI:249982 - FPL 64176

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ChEBI Name FPL 64176
ChEBI ID CHEBI:249982
Definition 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34753
Supplier Information
Download Molfile XML SDF
Formula C22H21NO3
Net Charge 0
Average Mass 347.40708
Monoisotopic Mass 347.15214
InChI InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3
InChIKey MDMWHKZANMNXTF-UHFFFAOYSA-N
SMILES COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1
Roles Classification
Biological Role(s): calcium channel agonist
Agents that increase calcium influx into calcium channels of excitable tissues.
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ChEBI Ontology
Outgoing FPL 64176 (CHEBI:249982) has role calcium channel agonist (CHEBI:38807)
FPL 64176 (CHEBI:249982) is a carboxylic ester (CHEBI:33308)
FPL 64176 (CHEBI:249982) is a pyrroles (CHEBI:26455)
IUPAC Name
methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Synonyms Sources
4-(2-Benzyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester ChEMBL
Fpl 64176 ChemIDplus
Fpl-64176 ChemIDplus
FPL64176 KEGG COMPOUND
Methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate KEGG COMPOUND
Manual Xrefs Databases
C13759 KEGG COMPOUND
LSM-3777 LINCS
View more database links
Registry Numbers Types Sources
120934-96-5 CAS Registry Number KEGG COMPOUND
120934-96-5 CAS Registry Number ChemIDplus
5445217 Beilstein Registry Number Beilstein
5445217 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18024584 PubMed citation ChEMBL
7692047 PubMed citation ChEMBL
8151623 PubMed citation ChEMBL
Last Modified
25 February 2016