GPCRdb

DIMENHYDRINATE

Agent/drug
Bioactivity

DIMENHYDRINATE

SMILES	CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChIKey	NFLLKCVHYJRNRH-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	469.2

Database connections

ChEMBL_compound_ids PubChem PubChem DrugBank PubChem PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1D	ADA1D	Human	Adrenoceptors	A	pKi	5.85	5.85	5.85	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	5.79	5.79	5.79	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	5.60	5.60	5.60	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.70	6.70	6.70	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.96	5.96	5.96	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.48	6.48	6.48	ChEMBL
H₁	HRH1	Human	Histamine	A	pKi	7.43	7.43	7.43	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	6.96	6.96	6.96	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.79	6.79	6.79	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	7.02	7.02	7.02	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	7.10	7.10	7.10	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pKi	6.64	6.64	6.64	ChEMBL

Showing 1 to 12 of 12 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1D	ADA1D	Human	Adrenoceptors	A	pIC50	5.54	5.54	5.54	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.37	5.37	5.37	ChEMBL
α_2B	ADA2B	Human	Adrenoceptors	A	pIC50	5.26	5.26	5.26	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	6.16	6.16	6.16	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	5.76	5.76	5.76	ChEMBL
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pIC50	6.20	6.20	6.20	ChEMBL
H₁	HRH1	Human	Histamine	A	pIC50	6.50	6.50	6.50	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	6.35	6.35	6.35	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	6.34	6.34	6.34	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pIC50	6.35	6.35	6.35	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	6.24	6.24	6.24	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pIC50	6.50	6.50	6.50	ChEMBL

Showing 1 to 12 of 12 entries

DIMENHYDRINATE

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 2

Phase III 0

Phase IV 4

Database connections

ChEMBL_compound_ids PubChem PubChem DrugBank PubChem PubChem GPCRdb

Sankey plot

Drug Information

Search:

Target					Disease

Gene	Protein	Receptor family	Ligand type	Class	Name	Phase	ICD11	ATC	Association score

HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	A	Nausea or vomiting	2	MD90		0.526
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	A	Vertigo, unspecified	4	MB48.0Z		0.577
HRH1	H₁ receptor	Histamine receptors	Aminergic receptors	A	Vomiting	4	MD90.1		0.588

Showing 1 to 3 of 3 entries