Details of the Drug

General Information of Drug (ID: DMZDUSA)

Drug Name

1,1-diphenyl-2-(3-tropanyl)ethanol

Synonyms

1,1-diphenyl-2-(3-tropanyl)ethanol; CHEMBL558034; BDBM50345674; 2-(exo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,1-diphenylethanol

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

321.5

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H27NO
IUPAC Name: 2-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
Canonical SMILES: CN1[C@@H]2CC[C@@H]1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t20-,21-/m1/s1
InChIKey: LAOBIJDCKIAALB-NHCUHLMSSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M3 (CHRM3)	TTQ13Z5	ACM3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Muscarinic acetylcholine receptor M2 (CHRM2)	DTT	CHRM2	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

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References

1	Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylch... Bioorg Med Chem Lett. 2009 Aug 15;19(16):4560-2.