Details of the Drug

General Information of Drug (ID: DM6FVZW)

• Drug Name: R-dimethindene
• Synonyms: CHEMBL564226; UNII-C9Z23T6963; C9Z23T6963; (R)-Dimethindene; Dimetindene, (R)-; (R)-(-)-Dimethindene; ZINC1482162; BDBM50297307; UNII-661FH77Z3P component MVMQESMQSYOVGV-HNNXBMFYSA-N; 1H-Indene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-; 1H-Indene-2-ethanamine, N,N-dimethyl-3-(1-(2-pyridinyl)ethyl)-, (R)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 292.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H24N2
  IUPAC Name: N,N-dimethyl-2-[3-[(1R)-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
  InChI: InChI=1S/C20H24N2/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/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1
  InChIKey: MVMQESMQSYOVGV-HNNXBMFYSA-N
• Cross-matching ID:
  PubChem CID: 12963076
  ChEBI ID: CHEMBL564226
  CAS Number: 135821-89-5
  TTD ID: D0H8XV
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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	Inhibitor	[1]
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

References

• [1] Characterization of novel selective H1-antihistamines for clinical evaluation in the treatment of insomnia. J Med Chem. 2009 Sep 10;52(17):5307-10.