GEPIRONE

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AX19
UNII: JW5Y7B8Z18

Structure
InChI Key QOIGKGMMAGJZNZ-UHFFFAOYSA-N
Smile CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1
InChI
InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29N5O2
Molecular Weight 359.47
AlogP 1.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 2400 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 58-4320 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
288 114 79 13-32 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 2 D019970 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 83928-76-1
ChEBI 135990
ChEMBL CHEMBL284092
DrugBank DB12184
DrugCentral 4562
EPA CompTox DTXSID90232813
FDA SRS JW5Y7B8Z18
PubChem 55191
SureChEMBL SCHEMBL79040
ZINC ZINC000002021499
CONTENTS