Nortriptyline

Representations & DB's id
ChEBI:	CHEBI:7640
ChEMBL:	CHEMBL445
PubChem:	4543
IUPAC:	3-(5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-11-ylidene)-N-methylpropan-1-amine
Standard InChI:	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
Standard InChI Key:	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
SMILES:	CNCCC=C1c2ccccc2CCc2c1cccc2

Molecular propeties
AlogP:	3.83
Hydrogen bonds acceptors:	1
Hydrogen bonds donors:	1
Rotatable bonds:	3
Number of rings:	3
Molecular Weight:	263.17
Topological polar surface area:	12
Number of aromatic rings:	2
Fsp3:	0.263
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Thymus vulgaris

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	2300 nM	Cytochrome P450 2D6	P10635
Potency	35.5 nM	Prelamin-A/C	P02545
Potency	251.2 nM	Prelamin-A/C	P02545
Potency	25118.9 nM	Huntingtin	P42858
Potency	58047.9 nM	Ras-related protein Rab-9A	P51151
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	23280.9 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	316.2 nM	Cytochrome P450 2C19	P33261
Potency	26121.6 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	23280.9 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	58047.9 nM	Niemann-Pick C1 protein	O15118
Potency	23280.9 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	12589.3 nM	Thrombopoietin	P40225
Potency	19952.6 nM	Cellular tumor antigen p53	P04637
Potency	19952.6 nM	Cellular tumor antigen p53	P04637
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	3162.3 nM	Cytochrome P450 2D6	P10635
Potency	15848.9 nM	Cytochrome P450 2D6	P10635
Potency	6309.6 nM	Cytochrome P450 2D6	P10635
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Thrombopoietin	P40225
Potency	29092.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	354.8 nM	Dopamine D1 receptor	P21728
Potency	3662.4 nM	Dopamine D1 receptor	P21728
Potency	31622.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	25118.9 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	12589.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	23099.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	19952.6 nM	Dopamine D1 receptor	P21728
Ki	49900 nM	Cytochrome P450 2C8	P10632
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-3	P35503
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1A4	P22310
Potency	29855.4 nM	Geminin	O75496
Potency	2592.9 nM	Dopamine D1 receptor	P21728
Potency	17782.8 nM	Ataxin-2	Q99700
Potency	11220.2 nM	Ataxin-2	Q99700
Ki	214 nM	Serotonin 6 (5-HT6) receptor	P50406
Others	70.1 %	Cytochrome P450 2J2	P51589
Others	45.3 %	Cytochrome P450 2J2	P51589

Nortriptyline

Representations & DB's id

Molecular propeties

Plant sources

In vitro data