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Compound Detail

CHEMBL22108

DIMETHINDENE
🧪 Phase III
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🧪 Phase III
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22108
Name DIMETHINDENE
Phase Phase III
Structure Type MOL
InChI Key MVMQESMQSYOVGV-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Dimethpyrindene Dimetindene Dimetindeno Feniallerg Forhistal
6
Targets
6
Activities
1
Assay Types
3
PK Parameters
20
Publications
5
Known Names
2
Indications
1
Mechanisms

Molecular Properties

292.4
MW (Da)
4.15
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Year 1962

Extended Properties

Molecular Formula C20H24N2
MW 292.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.30

Mechanism of Action

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

Indications

Hypersensitivity Pruritus

ATC Classification

D04AA13
dimetindene
Level 1: DERMATOLOGICALS
Level 2: ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
R06AB03
dimetindene
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE

Activity Summary

Ki 6 meas. best 9.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL231
 Ki 9.16 9.16 0.7 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 7.35 7.35 44.7 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 6.72 6.72 190.6 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 6.58 6.58 263.0 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 6.39 6.39 407.4 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 6.1 6.1 794.3 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 5.0 hr Homo sapiens
T1/2 18.0 hr Homo sapiens
T1/2 5.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor Ki = 0.6918 nM 9.16 Compound was evaluated for binding affinity towards cloned human histamine H1 re... 12593665
Muscarinic acetylcholine receptor M2 Ki = 44.67 nM 7.35 Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]... 11354386
Muscarinic acetylcholine receptor M3 Ki = 190.55 nM 6.72 Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]... 11354386
Muscarinic acetylcholine receptor M1 Ki = 263.03 nM 6.58 Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]... 11354386
Muscarinic acetylcholine receptor M4 Ki = 407.38 nM 6.39 Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]... 11354386
Muscarinic acetylcholine receptor M5 Ki = 794.33 nM 6.1 Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]... 11354386

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
19663387 10.1021/jm900933k Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
12593665 10.1021/jm020895l Histamine H1 receptor 1
20800486 10.1016/j.bmcl.2010.07.117 Homo sapiens 1
15857133 10.1021/jm048980b No relevant target 1
11354386 10.1016/s0960-894x(01)00186-x Muscarinic acetylcholine receptor M5 1
11354386 10.1016/s0960-894x(01)00186-x Muscarinic acetylcholine receptor M4 1
11354386 10.1016/s0960-894x(01)00186-x Muscarinic acetylcholine receptor M3 1
11354386 10.1016/s0960-894x(01)00186-x Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine