ESCITALOPRAM


Synonyms	Cipralex Escitalopram Esertia Esitol LU-26-054
Status
Molecule Category	Free-form
ATC	N06AB10
UNII	4O4S742ANY
EPA CompTox	DTXSID8048440


InChI Key	WSEQXVZVJXJVFP-FQEVSTJZSA-N
Smiles	CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChI	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1

Property Name	Value
Molecular Formula	C20H21FN2O
Molecular Weight	324.4
AlogP	3.81
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	36.26
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	2.1-10	2.6	0.89-7.4	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	2.1-10	2.6	1-7.4	-
Rattus norvegicus	-	-	-	0.89	49

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	36791
ChEMBL	CHEMBL1508
DrugBank	DB01175
DrugCentral	1053
FDA SRS	4O4S742ANY
Human Metabolome Database	HMDB0005028
Guide to Pharmacology	7177
PDB	68P
PharmGKB	PA10074
PubChem	146570
SureChEMBL	SCHEMBL34948
ZINC	ZINC000003800706

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ESCITALOPRAM

Structure

Physicochemical Descriptors

Pharmacology

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