INDALPINE


Synonyms	Indalpine LM-5008
Status
Molecule Category	Free-form
UNII	V35562QSVT
EPA CompTox	DTXSID80213196

Structure


InChI Key	SADQVAVFGNTEOD-UHFFFAOYSA-N
Smiles	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

Mechanism of Action	Action	Reference
Serotonin transporter inhibitor	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	-	10-30	-	2-2.5	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	1	-	2	-

Target Conservation


Protein: Serotonin transporter Description: Sodium-dependent serotonin transporter Organism : Homo sapiens P31645 ENSG00000108576

Cross References

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

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).

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).