IPRINDOLE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AA13
UNII: 69U0IKR8FP

Structure
InChI Key PLIGPBGDXASWPX-UHFFFAOYSA-N
Smile CN(C)CCCn1c2c(c3ccccc31)CCCCCC2
InChI
InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28N2
Molecular Weight 284.45
AlogP 4.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 8.17
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135177
ChEMBL CHEMBL126224
DrugBank DB13496
DrugCentral 1478
EPA CompTox DTXSID80204145
FDA SRS 69U0IKR8FP
PubChem 21722
SureChEMBL SCHEMBL49509
ZINC ZINC000000001576
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