BICIFADINE

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Search structure


Synonyms	Bicifadine
Status
Molecule Category	UNKNOWN
UNII	B0SV3N7J3H


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	OFYVIGTWSQPCLF-UHFFFAOYSA-N
Smiles	Cc1ccc(C23CNCC2C3)cc1
InChI	InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H15N
Molecular Weight	173.26
AlogP	1.86
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	13.0

Bioactivity

Mechanism of Action	Action	Reference
Monoamine transporter inhibitor	INHIBITOR	PubMed Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	44668	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	117	-	-	-

Assay Description	Organism	Bioactivity	Reference
Binding affinity to SERT (unknown origin)	Homo sapiens	117.0 nM
Binding affinity to NET (unknown origin)	Homo sapiens	55.0 nM
Binding affinity to DAT (unknown origin)	Homo sapiens	910.0 nM

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL511099
DrugBank	DB04889
FDA SRS	B0SV3N7J3H
PubChem	24768032
SureChEMBL	SCHEMBL38793

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).