EcoDrugPlus


Synonyms	Chlorphenoxamine
Status
Molecule Category	Free-form
ATC	D04AA34 R06AA06
UNII	3UVD77BP8R
EPA CompTox	DTXSID5022805

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Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	KKHPNPMTPORSQE-UHFFFAOYSA-N
Smiles	CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
InChI	InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H22ClNO
Molecular Weight	303.83
AlogP	4.18
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Mechanism of Action	Action	Reference
Histamine H1 receptor antagonist	ANTAGONIST	PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Cross References

Resources	Reference
ChEBI	135288
ChEMBL	CHEMBL2110774
DrugBank	DB09007
DrugCentral	617
FDA SRS	3UVD77BP8R
Human Metabolome Database	HMDB0240223
PubChem	6475
SureChEMBL	SCHEMBL29208

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...

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

Last update: Monday, 3 November 2025

CHLORPHENOXAMINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References