EcoDrugPlus


Synonyms	Antagonate Chlor-Trimeton Chlorphenamine Chlorpheniramine Isoclor Kloromin Phenetron Teldrin
Status
Molecule Category	Free-form
UNII	3U6IO1965U
EPA CompTox	DTXSID0022804


InChI Key	SOYKEARSMXGVTM-UHFFFAOYSA-N
Smiles	CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
InChI	InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

Property Name	Value
Molecular Formula	C16H19ClN2
Molecular Weight	274.8
AlogP	3.82
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	49.7
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	8.8-66	-	0.92-7	41.31

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	8.8	-	-	41.31-49.7
Homo sapiens	-	66	-	0.92-4.467	-
Rattus norvegicus	-	31.8-121	-	-	-

Resources	Reference
CAS NUMBER	132-22-9
ChEBI	52010
ChEMBL	CHEMBL505
DrugBank	DB01114
DrugCentral	616
FDA SRS	3U6IO1965U
Human Metabolome Database	HMDB0001944
Guide to Pharmacology	6976
KEGG	C06905
PharmGKB	PA448960
PubChem	2725
SureChEMBL	SCHEMBL4219

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

CHLORPHENIRAMINE

Structure

Physicochemical Descriptors

Pharmacology

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