DASOLAMPANEL

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Search structure


Synonyms	Dasolampanel NGX426
Status
Molecule Category	UNKNOWN
UNII	1P85D6BE9K


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	LAKQPSQCICNZII-NOHGZBONSA-N
Smiles	O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1
InChI	InChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H20ClN5O3
Molecular Weight	377.83
AlogP	2.13
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	113.02
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	26.0

Bioactivity

Mechanism of Action	Action	Reference
Glutamate receptor ionotropic AMPA antagonist	ANTAGONIST	PubMed PubMed PubMed


Protein: Glutamate receptor ionotropic kainate 1 Description: Glutamate receptor ionotropic, kainate 1 Organism : Homo sapiens P39086 ENSG00000171189











Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 1 Organism : Homo sapiens P42261 ENSG00000155511











Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 2 Organism : Homo sapiens P42262 ENSG00000120251











Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 3 Organism : Homo sapiens P42263 ENSG00000125675











Protein: Glutamate receptor ionotropic AMPA Description: Glutamate receptor 4 Organism : Homo sapiens P48058 ENSG00000152578

Cross References

Resources	Reference
ChEMBL	CHEMBL2103869
FDA SRS	1P85D6BE9K
PDB	SXI
PubChem	51049972
SureChEMBL	SCHEMBL13390253
ZINC	ZINC000034339219

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).