DEXCHLORPHENIRAMINE


Synonyms	Chlorphenamine, (s)- Chlorpheniramine d-form Chlorpheniramine, (s)- Chlorpheniramine, d- Dapriton Dexchlorpheniramine
Status
Molecule Category	UNKNOWN
ATC	R06AB02
UNII	3Q9Q0B929N
EPA CompTox	DTXSID50180225


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SOYKEARSMXGVTM-HNNXBMFYSA-N
Smiles	CN(C)CC[C@@H](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/t15-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H19ClN2
Molecular Weight	274.8
AlogP	3.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity
DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)	None	333.0 nM
DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)	None	547.0 nM
DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)	None	276.0 nM
DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)	None	749.0 nM
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	None	25.0 nM	DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	None	13.0 nM
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	697.0 nM
DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	None	931.0 nM	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	None	739.0 nM
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)	None	6.288 nM	DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)	None	0.73 nM
Primary screen in NF54 nanoGlo assay, in single point, at 2uM, 72h	Plasmodium falciparum	28.0 %

Related Entries

Cross References

Resources	Reference
ChEBI	4464
ChEMBL	CHEMBL1201353
DrugBank	DB13679
DrugCentral	4411
FDA SRS	3Q9Q0B929N
Human Metabolome Database	HMDB0240218
Guide to Pharmacology	1210
KEGG	C06946
PubChem	33036
SureChEMBL	SCHEMBL3538
ZINC	ZINC000000113404

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).