Molecule

5-Fluorotryptamine

AlkaPlorer ID: AK000525

Synonym: None

IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)ethanamine

SMILES: C1=CC2=C(C=C1F)C(=CN2)CCN

InChI: InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2

InChIKey: ZKIORVIXEWIOGB-UHFFFAOYSA-N

PubChem CID: 164682

CAS: 2711-58-2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Catharanthus roseus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 178.20999999999995

TPSA？: 41.81

MolLogP？: 1.8081999999999998

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Catharanthus roseus	Strictosidine synthase	Km	7100.0	nM	10.1016/j.bmcl.2006.01.098
Homo sapiens	Myeloperoxidase	IC50	200.0	nM	10.1021/jm1009988
Homo sapiens	Myeloperoxidase	IC50	790.0	nM	10.1021/jm3007245
Homo sapiens	Myeloperoxidase	IC50	940.0	nM	10.1021/jm1009988
Homo sapiens	Serotonin 2a (5-HT2a) receptor	EC50	2.64	nM	10.1016/j.bmcl.2014.07.062
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Emax	110.0	%	10.1016/j.bmcl.2014.07.062
Homo sapiens	Transient receptor potential cation channel subfamily M member 8	IC50	12300.0	nM	10.1016/j.bmcl.2010.09.099
Homo sapiens	Transient receptor potential cation channel subfamily M member 8	IC50	13100.0	nM	10.1016/j.bmcl.2010.09.099
Rattus norvegicus	Dopamine transporter	EC50	82.3	nM	10.1016/j.bmcl.2014.07.062
Rattus norvegicus	Norepinephrine transporter	EC50	464.0	nM	10.1016/j.bmcl.2014.07.062
Rattus norvegicus	Rattus norvegicus	IC50	130.0	nM	10.1021/jm9811054
Rattus norvegicus	Serotonin transporter	EC50	10.1	nM	10.1016/j.bmcl.2014.07.062
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	10.62	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.04	%	10.6019/CHEMBL4495565