Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1P85D6BE9K

Structure

InChI Key LAKQPSQCICNZII-NOHGZBONSA-N
Smile 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

Pharmacology

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

Related Entries

Scaffolds

Cross References

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