INDALPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V35562QSVT

Structure
InChI Key SADQVAVFGNTEOD-UHFFFAOYSA-N
Smile c1ccc2c(CCC3CCNCC3)c[nH]c2c1
InChI
InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2
Molecular Weight 228.34
AlogP 3.1
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 27.82
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serotonin transporter inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 10 - 2-3 -

Cross References

Resources Reference
ChEBI 134939
ChEMBL CHEMBL276520
DrugBank DB08953
DrugCentral 1432
EPA CompTox DTXSID80213196
FDA SRS V35562QSVT
PubChem 44668
SureChEMBL SCHEMBL49135
ZINC ZINC000004674528
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