Details of the Drug

General Information of Drug (ID: DMMHNU2)

Drug Name

(S)-(+)-Dimethindene maleate

Synonyms

UNII-J43ZL3WTLN; J43ZL3WTLN; 136152-65-3; DSSTox_RID_83231; DSSTox_CID_28966; DSSTox_GSID_49040; Dimethindene maleate, (+)-; CAS-1217457-81-2; NCGC00025158-01; 121367-05-3; Dimethindene maleate, (S)-(+)-; DTXSID8049040; CHEMBL2356801; MolPort-023-276-095; HMS3267J12; Tox21_113582; AKOS024456589; Tox21_113582_1; NCGC00025158-02; 1H-Indene-2-ethanamine, N,N-dimethyl-3-((1S)-1-(2-pyridinyl)ethyl)-, (2Z)-2-butenedioate (1:1); B6734; (S)-(+)-Dimethindene maleate, > UNII-6LL60J9E0O component

Indication

Disease Entry	ICD 11	Status	REF
Pruritus	EC90	Approved	[1]
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Therapeutic Class

Antiinflammatory Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

408.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C24H28N2O4
IUPAC Name: (Z)-but-2-enedioic acid;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
Canonical SMILES: C[C@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C\\C(=O)O)\\C(=O)O
InChI: InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m1./s1
InChIKey: SWECWXGUJQLXJF-HFNHQGOYSA-N

Cross-matching ID

PubChem CID: 56972160
CAS Number: 136152-65-3
TTD ID: D0ZJ1C

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Pruritus

ICD Disease Classification

EC90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Prescription and safety of dimethindene maleate micropellet capsules in Hungary. Orv Hetil. 2004 Feb 15;145(7):327-9.
2	Analytical method for simultaneously measuring ex vivo drug receptor occupancy and dissociation rate: application to (R)-dimethindene occupancy of central histamine H1 receptors. J Recept Signal Transduct Res. 2009;29(2):84-93.