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Compound Detail

CHEMBL1620

DIPHENHYDRAMINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CN(C)CCOC(c1ccccc1)c1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1620
Name DIPHENHYDRAMINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key PCHPORCSPXIHLZ-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL657
Active Moiety CHEMBL657

Known Names

Antitussive Beldin Belix Benadryl Benadryl preservative free Benylin Caladryl Coltex Dibenil Diphen Diphenhydramine hcl Diphenhydramine hydrochloride +18 more
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
19
Publications
30
Known Names
20
Indications
1
Mechanisms

Molecular Properties

255.4
MW (Da)
3.35
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1946
Availability OTC
Chirality Achiral

Routes of Administration

Oral Parenteral

Extended Properties

Molecular Formula C17H22ClNO
MW 291.82
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.52

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H1 receptor antagonist ANTAGONIST Histamine H1 receptor ✓ ✓

Indications

Burns Common Cold Cough Dizziness Fever Headache Insect Bites and Stings Motion Sickness Nasal Obstruction Nausea Pain Pharyngitis Postoperative Nausea and Vomiting Pruritus Rhinitis, Allergic Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal Sleep Initiation and Maintenance Disorders Sunburn Vomiting

Activity Summary

IC50 4 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.5 5.875 316.2 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 316.23 nM 6.5 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 794.33 nM 6.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 3162.28 nM 5.5 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
18571406 10.1016/j.bmcl.2008.06.002 Mus musculus 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
17417631 10.1038/nchembio873 Unchecked 1

Data from ChEMBL 36 via Core Engine